General Information of the Compound
| Compound ID |
CP0444108
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| Compound Name |
N-[(2S)-2-(3,4-dichlorophenyl)-4-(5-phenylpyridin-2-yl)butyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C28H26Cl2N2O2S
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| Molecular Weight |
525.501
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| Canonical SMILES |
CN(C[C@@H](CCc1ccc(cn1)-c1ccccc1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H26Cl2N2O2S/c1-32(35(33,34)26-10-6-3-7-11-26)20-24(22-14-17-27(29)28(30)18-22)13-16-25-15-12-23(19-31-25)21-8-4-2-5-9-21/h2-12,14-15,17-19,24H,13,16,20H2,1H3/t24-/m1/s1
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| InChIKey |
ZGERUXCDYPCDEH-XMMPIXPASA-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