General Information of the Compound
| Compound ID |
CP0858770
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| Compound Name |
5-(3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-N-(pyridin-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H23N5OS
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| Molecular Weight |
465.582
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| Canonical SMILES |
Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21
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| InChI |
InChI=1S/C27H23N5OS/c1-31-23-10-3-2-9-22(23)30-26(31)18-6-4-8-21(14-18)32-13-11-24-19(17-32)15-25(34-24)27(33)29-20-7-5-12-28-16-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,29,33)
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| InChIKey |
YUGZVIKQWJLOIO-UHFFFAOYSA-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