General Information of the Compound
| Compound ID |
CP0502456
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| Compound Name |
N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-phenylphenyl)butyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C29H27Cl2NO2S
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| Molecular Weight |
524.513
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| Canonical SMILES |
CN(C[C@@H](CCc1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H27Cl2NO2S/c1-32(35(33,34)27-10-6-3-7-11-27)21-26(25-18-19-28(30)29(31)20-25)17-14-22-12-15-24(16-13-22)23-8-4-2-5-9-23/h2-13,15-16,18-20,26H,14,17,21H2,1H3/t26-/m1/s1
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| InChIKey |
RDNJBSKDHJDHFA-AREMUKBSSA-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