General Information of the Compound
| Compound ID |
CP0531436
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| Compound Name |
(S)-2-(4-chloro-2-(((S)-4-(2-(4-chlorophenyl)acetyl)-3-methylpiperazin-1-yl)methyl)phenoxy)propanoic acid
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| Structure |
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| Formula |
C23H26Cl2N2O4
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| Molecular Weight |
465.377
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| Canonical SMILES |
C[C@H](Oc1ccc(Cl)cc1CN1CCN([C@@H](C)C1)C(=O)Cc1ccc(Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C23H26Cl2N2O4/c1-15-13-26(9-10-27(15)22(28)11-17-3-5-19(24)6-4-17)14-18-12-20(25)7-8-21(18)31-16(2)23(29)30/h3-8,12,15-16H,9-11,13-14H2,1-2H3,(H,29,30)/t15-,16-/m0/s1
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| InChIKey |
FDGBGRZYIGYTBW-HOTGVXAUSA-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