General Information of the Compound
| Compound ID |
CP0387049
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| Compound Name |
(4S)-N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C21H18Cl2N2O2S
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| Molecular Weight |
433.36
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1
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| InChIKey |
VPDBRKAZMIEIGB-FQEVSTJZSA-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