General Information of the Compound
| Compound ID |
CP0506315
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| Compound Name |
(R)-N1-(4-(2-(3-(dimethylamino)pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamide
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| Structure |
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| Formula |
C29H28FN5O4S
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| Molecular Weight |
561.639
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| Canonical SMILES |
CN(C)[C@@H]1CCN(C1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C29H28FN5O4S/c1-34(2)20-11-13-35(17-20)29(38)25-15-22-28(40-25)24(10-12-31-22)39-23-9-8-19(14-21(23)30)33-27(37)16-26(36)32-18-6-4-3-5-7-18/h3-10,12,14-15,20H,11,13,16-17H2,1-2H3,(H,32,36)(H,33,37)/t20-/m1/s1
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| InChIKey |
DDYSIXDGDGDTAO-HXUWFJFHSA-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