General Information of the Compound
| Compound ID |
CP0425641
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| Compound Name |
(S)-2-(4-chloro-2-((4-(2-(4-chlorophenyl)-2-methylpropanoyl)-3-methylpiperazin-1-yl)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C24H28Cl2N2O4
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| Molecular Weight |
479.404
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)C(C)(C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H28Cl2N2O4/c1-16-13-27(14-17-12-20(26)8-9-21(17)32-15-22(29)30)10-11-28(16)23(31)24(2,3)18-4-6-19(25)7-5-18/h4-9,12,16H,10-11,13-15H2,1-3H3,(H,29,30)/t16-/m0/s1
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| InChIKey |
MSSLADGIBICRTQ-INIZCTEOSA-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