@MOLECULE n-(4-{[4-({[1-(3-aminophenyl)-3-(2-methyl-2-propanyl)-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}-6-quinazolinyl)-4-(dimethylamino)butanamide 86 90 0 0 0 SMALL GASTEIGER @ATOM 1 N 2.6255 3.3184 1.3906 N.ar 1 UNL1111111111 -0.5475 2 C 3.1969 4.4957 1.7946 C.ar 1 UNL1111111111 0.2734 3 N 4.4907 4.7866 1.7331 N.ar 1 UNL1111111111 -0.4798 4 C 5.3340 3.8356 1.2036 C.ar 1 UNL1111111111 0.1942 5 C 4.8565 2.5870 0.7422 C.ar 1 UNL1111111111 -0.1984 6 C 3.4264 2.3642 0.8830 C.ar 1 UNL1111111111 0.4260 7 C 10.6767 -5.5871 -2.0619 C.3 1 UNL1111111111 -0.2844 8 C 10.2342 -5.1244 0.2776 C.3 1 UNL1111111111 -0.2829 9 C -7.4916 1.0796 -4.3175 C.3 1 UNL1111111111 -0.4565 10 C -7.6805 3.0103 -2.7052 C.3 1 UNL1111111111 -0.4573 11 C -9.5578 1.3555 -2.9178 C.3 1 UNL1111111111 -0.4545 12 N -10.1150 -2.2395 3.2446 N.pl3 1 UNL1111111111 -0.6251 13 O 6.7643 -0.8286 -0.3696 O.2 1 UNL1111111111 -0.5044 14 O -3.3376 0.9274 -0.7709 O.2 1 UNL1111111111 -0.4861 15 C -7.1444 -3.8177 1.7481 C.ar 1 UNL1111111111 -0.0195 16 C -8.2566 -3.6311 2.5561 C.ar 1 UNL1111111111 -0.3272 17 C -6.7648 -2.8610 0.8090 C.ar 1 UNL1111111111 -0.3417 18 C -0.8347 1.3013 0.3800 C.ar 1 UNL1111111111 -0.1649 19 C -0.1019 -0.9345 1.0035 C.ar 1 UNL1111111111 -0.2162 20 C 0.4892 1.7155 0.3167 C.ar 1 UNL1111111111 -0.1255 21 C 1.2208 -0.5174 0.9478 C.ar 1 UNL1111111111 -0.1784 22 C 7.5892 3.2023 0.5964 C.ar 1 UNL1111111111 -0.1857 23 C 6.7271 4.1263 1.1196 C.ar 1 UNL1111111111 -0.1268 24 C -8.6601 -1.4759 1.4772 C.ar 1 UNL1111111111 -0.3266 25 C -5.9627 0.6504 -1.6150 C.ar 1 UNL1111111111 -0.3291 26 C 5.7525 1.6545 0.1829 C.ar 1 UNL1111111111 -0.1813 27 C 8.9111 -2.5367 -0.8154 C.3 1 UNL1111111111 -0.2580 28 C 9.0080 -1.0591 -1.2037 C.3 1 UNL1111111111 -0.3709 29 C 10.1204 -3.3165 -1.3651 C.3 1 UNL1111111111 -0.1225 30 N -8.0486 -0.0978 -1.0441 N.ar 1 UNL1111111111 -0.2591 31 N 8.0534 1.0527 -0.4190 N.am 1 UNL1111111111 -0.5756 32 N -2.4698 -0.4882 0.8310 N.am 1 UNL1111111111 -0.5815 33 N -4.7060 -0.6821 0.1555 N.am 1 UNL1111111111 -0.5804 34 N 2.8896 1.1633 0.4852 N.pl3 1 UNL1111111111 -0.4682 35 C 7.8265 -0.3120 -0.6256 C.2 1 UNL1111111111 0.6048 36 C -3.4823 0.0128 0.0044 C.2 1 UNL1111111111 0.7199 37 C -9.0272 -2.4570 2.4179 C.ar 1 UNL1111111111 0.3061 38 C -1.1328 -0.0250 0.7179 C.ar 1 UNL1111111111 0.1929 39 C 1.5185 0.8088 0.5992 C.ar 1 UNL1111111111 0.1635 40 C 7.1011 1.9463 0.1211 C.ar 1 UNL1111111111 0.1832 41 C -7.5252 -1.6876 0.6974 C.ar 1 UNL1111111111 0.2831 42 C -7.3706 0.7084 -1.8882 C.ar 1 UNL1111111111 0.0840 43 C -5.8264 -0.2418 -0.5546 C.ar 1 UNL1111111111 0.2782 44 N 9.8956 -4.7624 -1.1151 N.3 1 UNL1111111111 -0.3834 45 N -7.1222 -0.6788 -0.2165 N.ar 1 UNL1111111111 -0.2099 46 C -8.0330 1.5333 -2.9508 C.3 1 UNL1111111111 0.1357 47 H 2.5040 5.2460 2.2088 H 1 UNL1111111111 0.1939 48 H 10.4554 -6.6516 -1.8750 H 1 UNL1111111111 0.1482 49 H 10.3434 -5.3676 -3.0899 H 1 UNL1111111111 0.1455 50 H 11.7651 -5.4444 -2.0065 H 1 UNL1111111111 0.1166 51 H 11.2894 -4.9712 0.5464 H 1 UNL1111111111 0.1164 52 H 9.6080 -4.5355 0.9681 H 1 UNL1111111111 0.1485 53 H 9.9822 -6.1855 0.4415 H 1 UNL1111111111 0.1466 54 H -6.4034 1.1964 -4.3763 H 1 UNL1111111111 0.1529 55 H -7.7177 0.0226 -4.4992 H 1 UNL1111111111 0.1512 56 H -7.9358 1.6619 -5.1302 H 1 UNL1111111111 0.1455 57 H -8.1441 3.6570 -3.4558 H 1 UNL1111111111 0.1455 58 H -8.0260 3.3396 -1.7187 H 1 UNL1111111111 0.1502 59 H -6.5974 3.1750 -2.7432 H 1 UNL1111111111 0.1536 60 H -9.8370 0.3043 -3.0634 H 1 UNL1111111111 0.1571 61 H -9.9714 1.6578 -1.9481 H 1 UNL1111111111 0.1540 62 H -10.0464 1.9474 -3.6958 H 1 UNL1111111111 0.1402 63 H -10.4617 -2.9755 3.8172 H 1 UNL1111111111 0.2970 64 H -10.7427 -1.4885 3.0541 H 1 UNL1111111111 0.3033 65 H -6.5600 -4.7349 1.8413 H 1 UNL1111111111 0.1482 66 H -8.5356 -4.3826 3.2858 H 1 UNL1111111111 0.1596 67 H -5.9328 -3.0527 0.1382 H 1 UNL1111111111 0.1741 68 H -1.6341 2.0143 0.1606 H 1 UNL1111111111 0.1940 69 H -0.3301 -1.9643 1.2656 H 1 UNL1111111111 0.1548 70 H 0.7220 2.7517 0.0559 H 1 UNL1111111111 0.1908 71 H 2.0195 -1.2205 1.1782 H 1 UNL1111111111 0.1619 72 H 8.6559 3.4156 0.5410 H 1 UNL1111111111 0.1595 73 H 7.0707 5.0964 1.4861 H 1 UNL1111111111 0.1824 74 H -9.2496 -0.5701 1.3492 H 1 UNL1111111111 0.1917 75 H -5.1903 1.1917 -2.1195 H 1 UNL1111111111 0.2057 76 H 5.3739 0.7084 -0.2095 H 1 UNL1111111111 0.1918 77 H 8.8401 -2.6460 0.2829 H 1 UNL1111111111 0.1512 78 H 7.9700 -2.9831 -1.2044 H 1 UNL1111111111 0.1790 79 H 9.9737 -0.6393 -0.8641 H 1 UNL1111111111 0.1570 80 H 8.9931 -0.9525 -2.3099 H 1 UNL1111111111 0.1743 81 H 10.1972 -3.1480 -2.4615 H 1 UNL1111111111 0.1350 82 H 11.0633 -2.9407 -0.9173 H 1 UNL1111111111 0.1121 83 H 8.9640 1.4423 -0.6290 H 1 UNL1111111111 0.3103 84 H -2.6088 -1.3486 1.3452 H 1 UNL1111111111 0.3137 85 H 3.5366 0.4118 0.2503 H 1 UNL1111111111 0.3273 86 H -4.8776 -1.2496 0.9824 H 1 UNL1111111111 0.3238 @BOND 1 1 2 ar 2 1 6 ar 3 2 3 ar 4 2 47 1 5 3 4 ar 6 4 5 ar 7 4 23 ar 8 5 6 ar 9 5 26 ar 10 6 34 1 11 7 44 1 12 7 48 1 13 7 49 1 14 7 50 1 15 8 44 1 16 8 51 1 17 8 52 1 18 8 53 1 19 9 46 1 20 9 54 1 21 9 55 1 22 9 56 1 23 10 46 1 24 10 57 1 25 10 58 1 26 10 59 1 27 11 46 1 28 11 60 1 29 11 61 1 30 11 62 1 31 12 37 1 32 12 63 1 33 12 64 1 34 13 35 2 35 14 36 2 36 15 16 ar 37 15 17 ar 38 15 65 1 39 16 37 ar 40 16 66 1 41 17 41 ar 42 17 67 1 43 18 20 ar 44 18 38 ar 45 18 68 1 46 19 21 ar 47 19 38 ar 48 19 69 1 49 20 39 ar 50 20 70 1 51 21 39 ar 52 21 71 1 53 22 23 ar 54 22 40 ar 55 22 72 1 56 23 73 1 57 24 37 ar 58 24 41 ar 59 24 74 1 60 25 42 ar 61 25 43 ar 62 25 75 1 63 26 40 ar 64 26 76 1 65 27 28 1 66 27 29 1 67 27 77 1 68 27 78 1 69 28 35 1 70 28 79 1 71 28 80 1 72 29 44 1 73 29 81 1 74 29 82 1 75 30 42 ar 76 30 45 ar 77 31 35 am 78 31 40 1 79 31 83 1 80 32 36 am 81 32 38 1 82 32 84 1 83 33 36 am 84 33 43 1 85 33 86 1 86 34 39 1 87 34 85 1 88 41 45 1 89 42 46 1 90 43 45 ar