General Information of the Compound
| Compound ID |
CP0186836
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| Compound Name |
methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-hexylcarbamate
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| Structure |
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| Formula |
C30H45N3O4S
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| Molecular Weight |
543.774
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| Canonical SMILES |
CCCCCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC
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| InChI |
InChI=1S/C30H45N3O4S/c1-4-5-6-13-21-33(30(34)37-3)28-19-23-32(24-20-28)22-18-27(26-14-9-7-10-15-26)25-31(2)38(35,36)29-16-11-8-12-17-29/h7-12,14-17,27-28H,4-6,13,18-25H2,1-3H3/t27-/m1/s1
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| InChIKey |
RCPDEZFBKMZZMJ-HHHXNRCGSA-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