General Information of the Compound
| Compound ID |
CP0235561
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| Compound Name |
(S)-N-(4-(2-(3-(dimethylamino)pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
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| Structure |
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| Formula |
C30H29FN6O4S
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| Molecular Weight |
588.665
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C30H29FN6O4S/c1-34(2)21-11-13-35(18-21)28(38)26-17-23-27(42-26)25(10-12-32-23)41-24-9-8-19(16-22(24)31)33-29(39)37-15-14-36(30(37)40)20-6-4-3-5-7-20/h3-10,12,16-17,21H,11,13-15,18H2,1-2H3,(H,33,39)/t21-/m0/s1
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| InChIKey |
BPDPKBWIXIMZMC-NRFANRHFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2