General Information of the Compound
| Compound ID |
CP0145673
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| Compound Name |
1-[(2-chlorophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxamide
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| Structure |
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| Formula |
C17H17ClN2O2S
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| Molecular Weight |
348.855
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| Canonical SMILES |
NC(=O)c1c2CCCCc2c(SCc2ccccc2Cl)[nH]c1=O
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| InChI |
InChI=1S/C17H17ClN2O2S/c18-13-8-4-1-5-10(13)9-23-17-12-7-3-2-6-11(12)14(15(19)21)16(22)20-17/h1,4-5,8H,2-3,6-7,9H2,(H2,19,21)(H,20,22)
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| InChIKey |
MOQXWUBCCUELGK-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