General Information of the Compound
| Compound ID |
CP0453488
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| Compound Name |
1-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
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| Structure |
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| Formula |
C23H28ClN3O2
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| Molecular Weight |
413.949
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H28ClN3O2/c1-16(2)21(26-23(29)25-20-6-4-3-5-7-20)22(28)27-14-12-18(13-15-27)17-8-10-19(24)11-9-17/h3-11,16,18,21H,12-15H2,1-2H3,(H2,25,26,29)/t21-/m1/s1
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| InChIKey |
RJNCQVNJJVUHAL-OAQYLSRUSA-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