General Information of the Compound
| Compound ID |
CP0469161
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| Compound Name |
N-[(S)-cyclopropyl(phenyl)methyl]-3-methylsulfinyl-2-phenylquinoline-4-carboxamide
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| Structure |
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| Formula |
C27H24N2O2S
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| Molecular Weight |
440.568
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| Canonical SMILES |
CS(=O)c1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C27H24N2O2S/c1-32(31)26-23(27(30)29-24(20-16-17-20)18-10-4-2-5-11-18)21-14-8-9-15-22(21)28-25(26)19-12-6-3-7-13-19/h2-15,20,24H,16-17H2,1H3,(H,29,30)/t24-,32?/m1/s1
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| InChIKey |
WJYCRUVWHFDNRS-IFIVVKAWSA-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