General Information of the Compound
| Compound ID |
CP0513974
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| Compound Name |
1-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-phenylethyl)urea
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| Structure |
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| Formula |
C25H32ClN3O2
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| Molecular Weight |
442.003
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)NCCc1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H32ClN3O2/c1-18(2)23(28-25(31)27-15-12-19-6-4-3-5-7-19)24(30)29-16-13-21(14-17-29)20-8-10-22(26)11-9-20/h3-11,18,21,23H,12-17H2,1-2H3,(H2,27,28,31)/t23-/m1/s1
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| InChIKey |
DKCQJLZFCPQSPK-HSZRJFAPSA-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