General Information of the Compound
| Compound ID |
CP0478266
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| Compound Name |
methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
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| Structure |
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| Formula |
C30H43N3O4S
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| Molecular Weight |
541.758
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| Canonical SMILES |
COC(=O)N(CC1CCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C30H43N3O4S/c1-31(38(35,36)29-15-7-4-8-16-29)24-27(26-13-5-3-6-14-26)17-20-32-21-18-28(19-22-32)33(30(34)37-2)23-25-11-9-10-12-25/h3-8,13-16,25,27-28H,9-12,17-24H2,1-2H3/t27-/m1/s1
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| InChIKey |
ZJPBKRIGNVZFLN-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