General Information of the Compound
| Compound ID |
CP0503571
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| Compound Name |
2-(4-((1-(2,5-dichlorophenylcarbamoyl)isoindolin-2-yl)methyl)-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C25H22Cl2N2O4
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| Molecular Weight |
485.367
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| Canonical SMILES |
Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C25H22Cl2N2O4/c1-15-10-16(6-9-22(15)33-14-23(30)31)12-29-13-17-4-2-3-5-19(17)24(29)25(32)28-21-11-18(26)7-8-20(21)27/h2-11,24H,12-14H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
ZHCGQNNAVSUJQT-UHFFFAOYSA-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