General Information of the Compound
| Compound ID |
CP0391993
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| Compound Name |
3-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
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| Structure |
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| Formula |
C18H17ClN2OS
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| Molecular Weight |
344.867
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| Canonical SMILES |
Clc1ccc(CCC(=O)Nc2sc3CCCCc3c2C#N)cc1
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| InChI |
InChI=1S/C18H17ClN2OS/c19-13-8-5-12(6-9-13)7-10-17(22)21-18-15(11-20)14-3-1-2-4-16(14)23-18/h5-6,8-9H,1-4,7,10H2,(H,21,22)
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| InChIKey |
AOWKQMUGAQZWET-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