General Information of the Compound
| Compound ID |
CP0438467
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| Compound Name |
1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]-phenyl}-3-phenyl-urea
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
OC(CN1CCC(Cc2ccccc2)CC1)c1ccccc1NC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C27H31N3O2/c31-26(20-30-17-15-22(16-18-30)19-21-9-3-1-4-10-21)24-13-7-8-14-25(24)29-27(32)28-23-11-5-2-6-12-23/h1-14,22,26,31H,15-20H2,(H2,28,29,32)
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| InChIKey |
MDINXBRCQYXZRD-UHFFFAOYSA-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