General Information of the Compound
| Compound ID |
CP0377893
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| Compound Name |
methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]carbamate
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| Structure |
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| Formula |
C24H33N3O4S
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| Molecular Weight |
459.612
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| Canonical SMILES |
COC(=O)NC1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C24H33N3O4S/c1-26(32(29,30)23-11-7-4-8-12-23)19-21(20-9-5-3-6-10-20)13-16-27-17-14-22(15-18-27)25-24(28)31-2/h3-12,21-22H,13-19H2,1-2H3,(H,25,28)/t21-/m1/s1
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| InChIKey |
AAOGRFLITNLSTM-OAQYLSRUSA-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