General Information of the Compound
| Compound ID |
CP0548844
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| Compound Name |
1-(3-Acetyl-phenyl)-3-[(1R,2S)-2-(4-benzyl-piperidin-1-ylmethyl)-cyclohexyl]-urea
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| Structure |
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| Formula |
C28H37N3O2
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| Molecular Weight |
447.623
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C28H37N3O2/c1-21(32)24-11-7-12-26(19-24)29-28(33)30-27-13-6-5-10-25(27)20-31-16-14-23(15-17-31)18-22-8-3-2-4-9-22/h2-4,7-9,11-12,19,23,25,27H,5-6,10,13-18,20H2,1H3,(H2,29,30,33)/t25-,27+/m0/s1
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| InChIKey |
TUWGKLBUZJCNKG-AHKZPQOWSA-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