General Information of the Compound
| Compound ID |
CP0376168
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| Compound Name |
1-[(1R,2S)-2-[(3-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
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| Structure |
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| Formula |
C27H37N3O2
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| Molecular Weight |
435.612
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| Canonical SMILES |
COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCCC(Cc3ccccc3)C2)c1
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| InChI |
InChI=1S/C27H37N3O2/c1-32-25-14-7-13-24(18-25)28-27(31)29-26-15-6-5-12-23(26)20-30-16-8-11-22(19-30)17-21-9-3-2-4-10-21/h2-4,7,9-10,13-14,18,22-23,26H,5-6,8,11-12,15-17,19-20H2,1H3,(H2,28,29,31)/t22?,23-,26+/m0/s1
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| InChIKey |
FRDMBUQGNRPFBS-FITRJGIZSA-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