General Information of the Compound
| Compound ID |
CP0507199
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| Compound Name |
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-pentan-3-ylpiperidin-3-yl]acetic acid
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| Structure |
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| Formula |
C25H29Cl2NO3
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| Molecular Weight |
462.417
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| Canonical SMILES |
CCC(CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H29Cl2NO3/c1-4-20(5-2)28-23(16-9-11-18(26)12-10-16)21(17-7-6-8-19(27)13-17)14-25(3,24(28)31)15-22(29)30/h6-13,20-21,23H,4-5,14-15H2,1-3H3,(H,29,30)/t21-,23-,25-/m1/s1
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| InChIKey |
YZXCLRHTZJADSX-GZGNHOFSSA-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