11485656 -OEChem-04062115123D 46 49 0 0 0 0 0 0 0999 V2000 5.9726 -2.2756 -1.0519 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4172 0.9152 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 1.0095 -1.1999 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7905 1.1890 -2.1656 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4605 -1.0980 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 0.7257 -2.2237 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 -0.8180 -0.2474 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8525 0.2751 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -0.2788 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2085 0.4645 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 -0.4883 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6635 0.7412 -1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6396 -0.6229 1.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8211 0.1284 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1798 -1.6971 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7177 0.5165 0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0041 -0.4219 2.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0967 -0.8949 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 -1.9002 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 0.3136 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 -0.2773 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 -0.2128 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 1.5387 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 1.0029 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 -1.0366 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6062 0.7871 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4220 -0.5006 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7033 2.9157 0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0418 -1.0541 2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8811 0.2851 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8776 -2.4914 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 1.4645 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4407 -0.6978 3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6630 1.2816 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4791 -2.8466 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 1.1396 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7118 -2.0031 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 0.3885 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3444 1.0680 -3.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 1.6396 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -1.7611 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 1.1908 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 -1.0864 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 3.6169 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 2.9240 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 3.2856 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 34 1 0 0 0 0 4 12 2 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 5 37 1 0 0 0 0 6 12 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 20 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > DB06080 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MPVGZUGXCQEXTM-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1 > InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) > MPVGZUGXCQEXTM-UHFFFAOYSA-N > C21H18FN5O > 375.407 > 375.149538383 > 3 > 46 > -0.00015970390048554396 > 38.97628732115971 > 1 > 4 > 0 > 1 > 3-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea > 4.20 > 4.510597297 > -4.84 > 0 > 0 > 4 > 0 > 15.211539513334188 > 10.403950850193084 > 3.3705199741663003 > 95.83 > 111.4756 > 3 > 1 > 5.46e-03 g/l > (2S,3S,4S,5R)-6-[(1R)-2-[(2-{4-[2-(2-amino-1,3-thiazol-4-yl)acetamido]phenyl}ethyl)amino]-1-phenylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 $$$$