General Information of the Compound
| Compound ID |
CP0543287
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| Compound Name |
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
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| Structure |
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| Formula |
C24H27Cl2NO4
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| Molecular Weight |
464.389
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| Canonical SMILES |
CC[C@@H](CO)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/C24H27Cl2NO4/c1-3-19(14-28)27-22(15-7-9-17(25)10-8-15)20(16-5-4-6-18(26)11-16)12-24(2,23(27)31)13-21(29)30/h4-11,19-20,22,28H,3,12-14H2,1-2H3,(H,29,30)/t19-,20+,22+,24+/m0/s1
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| InChIKey |
PSVIJRZZFHPPFN-LNGMVNIQSA-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