General Information of the Compound
| Compound ID |
CP0526570
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| Compound Name |
4-chloro-3-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C27H24ClNO4
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| Molecular Weight |
461.945
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| Canonical SMILES |
OC(=O)c1ccc(Cl)c(c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
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| InChI |
InChI=1S/C27H24ClNO4/c28-25-11-8-19(27(31)32)14-24(25)18-5-3-4-17(12-18)16-33-22-9-10-23-20(13-22)15-29(26(23)30)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15-16H2,(H,31,32)
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| InChIKey |
WLNNHBHTIDYGLP-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