General Information of the Compound
| Compound ID |
CP0869609
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| Compound Name |
3-(2-(2-(benzyloxy)-5-chlorophenyl)-5-chloro-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C24H17Cl2NO3
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| Molecular Weight |
438.31
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| Canonical SMILES |
O=C(O)c1cccc(-n2c(Cl)ccc2-c2cc(Cl)ccc2OCc2ccccc2)c1
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| InChI |
InChI=1S/C24H17Cl2NO3/c25-18-9-11-22(30-15-16-5-2-1-3-6-16)20(14-18)21-10-12-23(26)27(21)19-8-4-7-17(13-19)24(28)29/h1-14H,15H2,(H,28,29)
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| InChIKey |
NPRLFJODKAZGAY-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