General Information of the Compound
| Compound ID |
CP0504958
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| Compound Name |
N-[(2S)-2-(3-chlorophenyl)-4-(2-phenylethylamino)butyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C25H29ClN2O2S
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| Molecular Weight |
457.039
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| Canonical SMILES |
CN(C[C@@H](CCNCCc1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H29ClN2O2S/c1-28(31(29,30)25-13-6-3-7-14-25)20-23(22-11-8-12-24(26)19-22)16-18-27-17-15-21-9-4-2-5-10-21/h2-14,19,23,27H,15-18,20H2,1H3/t23-/m1/s1
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| InChIKey |
HPYNERYCUSEAEW-HSZRJFAPSA-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