General Information of the Compound
| Compound ID |
CP0186835
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| Compound Name |
methyl 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 |
C31H45N3O4S
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| Molecular Weight |
555.785
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| Canonical SMILES |
COC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C31H45N3O4S/c1-32(39(36,37)30-16-10-5-11-17-30)25-28(27-14-8-4-9-15-27)18-21-33-22-19-29(20-23-33)34(31(35)38-2)24-26-12-6-3-7-13-26/h4-5,8-11,14-17,26,28-29H,3,6-7,12-13,18-25H2,1-2H3/t28-/m1/s1
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| InChIKey |
RNKVVXJENIMACX-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