General Information of the Compound
| Compound ID |
CP0494830
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| Compound Name |
(S)-3-(methylthiomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C27H26N2OS
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| Molecular Weight |
426.585
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(CSC)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H26N2OS/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(22(25)18-31-2)20-14-8-5-9-15-20/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-/m0/s1
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| InChIKey |
HQGZCOAAOJFXDQ-QHCPKHFHSA-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