25212148 -OEChem-05201910443D 74 79 0 0 0 0 0 0 0999 V2000 -3.2424 -1.5930 1.0488 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -3.3056 2.9331 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4119 -0.7536 -3.9614 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 2.7425 0.6658 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8449 1.5111 1.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 -2.4412 1.7661 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8187 3.6181 -1.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 0.7903 1.7827 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 1.7793 -0.5475 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 -3.5412 -1.9804 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8256 1.5678 -0.5333 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7176 -0.0516 0.7487 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 2.6529 1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 3.3668 2.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 4.1499 1.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4547 2.0722 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 1.9147 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -0.0190 1.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7609 1.1327 -1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -1.2829 2.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 0.4347 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 1.0876 -2.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9163 0.5412 -0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -2.0928 2.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -0.3751 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 0.4507 -3.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8119 -0.0956 -1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 -1.6390 1.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 -0.1409 -3.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -2.7916 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0484 -2.4586 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 -2.8424 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -3.5042 -0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3785 -1.7277 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8724 -2.4151 -1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6874 -1.1425 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -3.8431 -1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1007 0.0642 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3968 0.7507 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8033 -1.6812 -0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0293 -1.0604 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 0.5248 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0987 2.2102 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5659 3.0235 -1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3018 4.4124 -2.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0758 3.3437 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2896 3.4291 3.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0323 4.7570 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 4.6177 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 0.3897 2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0372 2.1884 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 -1.6497 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8847 1.4006 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6047 1.5446 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1845 0.5354 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0534 -0.0031 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 0.4150 -4.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7118 -0.5571 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -3.8048 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4273 -2.6070 -2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1552 -0.0115 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3179 1.3753 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.4024 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7519 -2.5629 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9216 -1.4625 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1214 2.2801 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0219 2.8681 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8661 1.4628 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9157 1.3987 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6799 2.3768 -2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8369 3.8094 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2642 4.8400 -1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4506 3.7991 -3.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6076 5.2305 -2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 34 1 0 0 0 0 2 24 1 0 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 28 1 0 0 0 0 6 30 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 50 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 51 1 0 0 0 0 10 32 2 0 0 0 0 10 37 1 0 0 0 0 11 39 1 0 0 0 0 11 43 1 0 0 0 0 11 66 1 0 0 0 0 12 36 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 52 1 0 0 0 0 21 25 2 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 23 27 2 0 0 0 0 23 55 1 0 0 0 0 24 28 2 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 29 2 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 58 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 33 37 2 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 60 1 0 0 0 0 36 40 1 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38 42 2 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 40 41 2 0 0 0 0 40 64 1 0 0 0 0 41 65 1 0 0 0 0 42 69 1 0 0 0 0 43 44 1 0 0 0 0 43 67 1 0 0 0 0 43 68 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 M END > DB15036 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WLAVZAAODLTUSW-UHFFFAOYSA-N/SDF?record_type=3d > COCCNCC1=CC=C(N=C1)C1=CC2=C(S1)C(OC1=C(F)C=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2 > InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42) > WLAVZAAODLTUSW-UHFFFAOYSA-N > C33H29F2N5O4S > 629.68 > 629.190831934 > 6 > 74 > 64.71073627596168 > 0 > 3 > 0 > 0 > N'1-(3-fluoro-4-{[2-(5-{[(2-methoxyethyl)amino]methyl}pyridin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide > 4.49 > 5.326137624000001 > -6.08 > 1 > 6 > 1 > 14.237127866145705 > 13.172874866047117 > 8.329554927884827 > 114.46999999999998 > 166.98339999999988 > 12 > 0 > 5.27e-04 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$