23507389 -OEChem-09091912233D 70 74 0 0 0 0 0 0 0999 V2000 -5.0619 -0.5433 0.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 3.4694 1.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0469 -0.5591 0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -2.6914 0.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6758 -0.7078 0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8859 -1.7988 1.6389 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7064 1.2699 -0.9712 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7938 1.8349 0.1884 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 2.2846 1.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9560 -1.0328 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8813 -0.3448 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6754 -2.1496 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6069 -1.4658 2.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9919 0.3654 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4979 0.2988 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 1.1598 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2954 1.4144 -0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2107 0.2570 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7811 0.9220 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3212 0.9901 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 2.2503 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 2.4763 0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 1.6935 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 1.8603 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 1.1080 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 -0.4097 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 -1.0531 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5941 0.4551 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 1.9999 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 1.2475 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 -0.8681 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 -1.6150 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0264 -1.4186 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 -0.6579 -1.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0597 -1.4831 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 -2.6756 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0338 -1.9150 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6657 -2.9238 -1.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3939 -1.0440 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6012 -0.1455 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7826 -1.3755 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9299 -0.1609 2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4695 0.5799 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6494 -2.3326 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1058 -3.0850 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9718 -2.3592 2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7969 -1.1459 3.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 1.3429 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1052 0.2256 -1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3119 -2.5862 2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3363 2.4528 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 3.2082 -1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1919 1.8526 -2.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 2.7553 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5932 2.9819 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 2.0894 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4666 0.8159 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 -1.6854 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4294 1.0522 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 2.3454 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 1.0194 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -2.6444 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 -1.2408 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 0.1176 -2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3756 -3.4610 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 -2.1084 -3.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 -3.9026 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6429 -1.4945 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5250 -1.7679 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0596 -0.1948 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 22 2 0 0 0 0 3 35 1 0 0 0 0 3 39 1 0 0 0 0 4 35 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 50 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 8 54 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 55 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 26 1 0 0 0 0 20 28 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 24 56 1 0 0 0 0 25 30 2 0 0 0 0 25 57 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 32 2 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 62 1 0 0 0 0 33 36 1 0 0 0 0 33 63 1 0 0 0 0 34 37 2 0 0 0 0 34 64 1 0 0 0 0 36 38 2 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 M END > DBMET02777 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/STMBVXYQKYKAOW-DQSJHHFOSA-N/SDF?record_type=3d > COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCNCC2)C2=CC=CC=C2)=C1 > InChI=1S/C30H31N5O4/c1-34(26(36)19-35-16-14-31-15-17-35)23-11-9-22(10-12-23)32-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39-2)18-25(24)33-29(27)37/h3-13,18,31-32H,14-17,19H2,1-2H3,(H,33,37)/b28-27- > STMBVXYQKYKAOW-DQSJHHFOSA-N > C30H31N5O4 > 525.609 > 525.237604498 > 6 > 70 > 57.26998709091376 > 1 > 3 > 0 > 0 > methyl (3Z)-3-[({4-[N-methyl-2-(piperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate > 2.85 > 2.3190283832231535 > -4.35 > 1 > 5 > 1 > 17.584355368877784 > 10.860067180278978 > 8.908989717281946 > 103.01 > 153.80269999999996 > 8 > 0 > 2.34e-02 g/l > methyl (3Z)-3-[({4-[N-methyl-2-(piperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate > 0 $$$$