General Information of the Compound
| Compound ID |
CP0380572
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| Compound Name |
ethyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(cyclohexylmethyl)carbamate
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| Structure |
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| Formula |
C32H47N3O4S
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| Molecular Weight |
569.812
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| Canonical SMILES |
CCOC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C32H47N3O4S/c1-3-39-32(36)35(25-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)26-33(2)40(37,38)31-17-11-6-12-18-31/h5-6,9-12,15-18,27,29-30H,3-4,7-8,13-14,19-26H2,1-2H3/t29-/m1/s1
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| InChIKey |
WMHAPICIKIEXDX-GDLZYMKVSA-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