5329102 -OEChem-10051719333D 56 58 0 0 0 0 0 0 0999 V2000 7.3421 -1.9332 2.0237 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 1.7851 -0.8482 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 1.2214 -1.8222 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8561 -0.7407 -0.0641 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 1.7829 0.9513 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 -0.4445 -0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4453 0.6024 -1.8711 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5025 -0.4874 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 0.9254 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -0.0763 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9279 0.4914 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4965 -0.7178 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 2.0648 0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8331 -0.4842 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 -2.1164 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5446 0.8201 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 0.0935 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 0.0047 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6466 -0.3695 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3372 -1.4640 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 -0.0357 -0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 3.4047 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1617 0.7243 -1.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7189 0.9391 1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3720 -2.3738 -1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 -1.0109 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 -0.3230 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.3116 1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3278 -0.9709 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 0.5541 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 -1.1165 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4528 -1.7599 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7212 -0.0902 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 2.4355 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8534 -0.5770 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7276 -1.1895 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 -2.3050 -1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7537 -2.8521 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 -0.4713 1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -1.1951 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 -2.1027 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -1.8985 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9426 -1.5137 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 4.0203 1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 3.9310 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 3.3290 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6012 1.1790 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6768 1.6690 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8511 1.0794 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1279 -2.4792 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6838 -1.5838 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3727 -3.3160 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7255 0.9284 -2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 -1.2785 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 -0.0603 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3801 -1.2163 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 40 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 53 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 18 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 22 1 0 0 0 0 14 24 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 25 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 27 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 56 1 0 0 0 0 M END > DB01268 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WINHZLLDWRZWRT-ATVHPVEESA-N/SDF?record_type=3d > CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C > InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- > WINHZLLDWRZWRT-ATVHPVEESA-N > C22H27FN4O2 > 398.4738 > 398.211804333 > 3 > 56 > 0.9909832169410497 > 44.73934209398874 > 1 > 3 > 0 > 1 > N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide > 3.24 > 2.9273768136666662 > -4.11 > 1 > 1 > 3 > 1 > 14.821863487808587 > 11.464278939168288 > 9.04269290383312 > 77.23 > 116.26629999999999 > 7 > 1 > 3.08e-02 g/l > tetrahydrofolic acid > 0 $$$$