General Information of the Compound
| Compound ID |
CP0853250
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| Compound Name |
3-(5-(2-(benzyloxy)-5-chlorophenyl)-2-methyl-3-phenyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C31H24ClNO3
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| Molecular Weight |
493.99
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| Canonical SMILES |
Cc1c(-c2ccccc2)cc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C31H24ClNO3/c1-21-27(23-11-6-3-7-12-23)19-29(33(21)26-14-8-13-24(17-26)31(34)35)28-18-25(32)15-16-30(28)36-20-22-9-4-2-5-10-22/h2-19H,20H2,1H3,(H,34,35)
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| InChIKey |
OFGOOYDFBDLIDV-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