General Information of the Compound
| Compound ID |
CP0408953
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| Compound Name |
N-[(2S)-2-(3-chlorophenyl)-4-[methyl(2-phenylethyl)amino]butyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C26H31ClN2O2S
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| Molecular Weight |
471.066
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| Canonical SMILES |
CN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CCc1ccccc1
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| InChI |
InChI=1S/C26H31ClN2O2S/c1-28(18-16-22-10-5-3-6-11-22)19-17-24(23-12-9-13-25(27)20-23)21-29(2)32(30,31)26-14-7-4-8-15-26/h3-15,20,24H,16-19,21H2,1-2H3/t24-/m1/s1
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| InChIKey |
LDKUNYPURMWIMV-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