General Information of the Compound
| Compound ID |
CP0503271
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| Compound Name |
2-(4-chloro-2-(((3S,5R)-3,5-dimethyl-4-(2-phenylacetyl)piperazin-1-yl)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C23H27ClN2O4
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| Molecular Weight |
430.932
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)C[C@@H](C)N1C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C23H27ClN2O4/c1-16-12-25(14-19-11-20(24)8-9-21(19)30-15-23(28)29)13-17(2)26(16)22(27)10-18-6-4-3-5-7-18/h3-9,11,16-17H,10,12-15H2,1-2H3,(H,28,29)/t16-,17+
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| InChIKey |
AFHZNYOZSHABDK-CALCHBBNSA-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