General Information of the Compound
| Compound ID |
CP0334535
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| Compound Name |
2-[3-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C26H22ClNO5
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| Molecular Weight |
463.917
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(OCC(O)=O)c3)c2c1
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| InChI |
InChI=1S/C26H22ClNO5/c1-16-22(13-17-4-3-5-21(12-17)33-15-25(29)30)23-14-20(32-2)10-11-24(23)28(16)26(31)18-6-8-19(27)9-7-18/h3-12,14H,13,15H2,1-2H3,(H,29,30)
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| InChIKey |
CZMXEBXOLTWIEN-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