9809715 -OEChem-08301818153D 73 77 0 0 0 0 0 0 0999 V2000 4.8260 0.1236 0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3424 -3.4648 1.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2545 0.8661 -0.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3714 2.9588 0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4504 0.1488 0.3058 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5104 2.1645 0.5342 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 -1.6834 -0.8107 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 -1.9509 0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3194 -2.1765 1.0443 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3363 1.4375 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8617 -0.2194 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0992 2.5320 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6256 0.8750 1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7236 -0.8948 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2362 3.2077 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2305 -0.7480 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -1.7516 -0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -2.7018 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 -1.1571 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4705 -0.1977 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 -0.9895 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6244 -0.8680 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 -2.1612 -1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 -1.4078 0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 -1.8838 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9527 -2.4408 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7268 -2.2274 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1279 -1.4739 0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 0.3152 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 1.1134 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8681 -0.2675 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9396 1.0572 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7837 1.7411 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 1.3127 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5812 0.5493 -1.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2242 1.7398 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 2.5442 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 1.7808 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 2.7782 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5741 1.4199 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7298 1.3631 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 1.7587 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9392 -1.1480 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3364 -0.4000 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 3.4625 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6215 2.7113 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2471 0.9475 2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 0.5799 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0127 -1.8726 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9341 -0.8736 -1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 4.1576 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2978 2.9499 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8398 3.3667 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.3018 -2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3558 -3.6251 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 -2.9684 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.4172 -2.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -1.1415 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -2.8533 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0112 -2.8356 1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 -2.5452 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7633 -1.2172 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 1.6999 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -0.8169 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8489 2.7722 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2261 1.1457 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 -0.2176 -2.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4547 3.3208 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 1.9632 -3.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 3.7371 -1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2800 0.6046 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6542 2.1413 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8150 1.8924 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 26 2 0 0 0 0 3 36 1 0 0 0 0 3 40 1 0 0 0 0 4 36 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 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 8 59 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 9 60 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 21 29 1 0 0 0 0 22 31 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 28 2 0 0 0 0 24 58 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 33 2 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 65 1 0 0 0 0 34 37 1 0 0 0 0 34 66 1 0 0 0 0 35 38 2 0 0 0 0 35 67 1 0 0 0 0 37 39 2 0 0 0 0 37 68 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 M END > DB09079 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XZXHXSATPCNXJR-ZIADKAODSA-N/SDF?record_type=3d > COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 > InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- > XZXHXSATPCNXJR-ZIADKAODSA-N > C31H33N5O4 > 539.6248 > 539.253254569 > 6 > 73 > 58.79041338249016 > 1 > 2 > 0 > 0 > methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate > 3.70 > 2.7898566030000005 > -4.24 > 1 > 5 > 1 > 17.58434656660883 > 10.855225404301317 > 7.228900244518917 > 94.21999999999998 > 159.09739999999994 > 8 > 0 > 3.09e-02 g/l > nintedanib > 0 $$$$