General Information of the Compound
| Compound ID |
CP0074795
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| Compound Name |
N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C29H35ClN2O3S
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| Molecular Weight |
527.13
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| Canonical SMILES |
COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C29H35ClN2O3S/c1-31(36(33,34)27-11-4-3-5-12-27)22-25(24-9-8-10-26(30)21-24)17-20-32-18-15-23(16-19-32)28-13-6-7-14-29(28)35-2/h3-14,21,23,25H,15-20,22H2,1-2H3/t25-/m1/s1
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| InChIKey |
HQINIQYECXZZQZ-RUZDIDTESA-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