General Information of the Compound
| Compound ID |
CP0076428
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| Compound Name |
methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-propylcarbamate
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| Structure |
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| Formula |
C27H39N3O4S
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| Molecular Weight |
501.693
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| Canonical SMILES |
CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC
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| InChI |
InChI=1S/C27H39N3O4S/c1-4-18-30(27(31)34-3)25-16-20-29(21-17-25)19-15-24(23-11-7-5-8-12-23)22-28(2)35(32,33)26-13-9-6-10-14-26/h5-14,24-25H,4,15-22H2,1-3H3/t24-/m1/s1
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| InChIKey |
LQACCDOIKFQVHE-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