General Information of the Compound
| Compound ID |
CP0376456
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| Compound Name |
benzyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]-N-ethylcarbamate
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| Structure |
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| Formula |
C32H40ClN3O4S
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| Molecular Weight |
598.209
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C32H40ClN3O4S/c1-3-36(32(37)40-25-26-11-6-4-7-12-26)30-18-21-35(22-19-30)20-17-28(27-13-10-14-29(33)23-27)24-34(2)41(38,39)31-15-8-5-9-16-31/h4-16,23,28,30H,3,17-22,24-25H2,1-2H3/t28-/m1/s1
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| InChIKey |
KWILXWLMEXXFLT-MUUNZHRXSA-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