General Information of the Compound
| Compound ID |
CP0942293
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| Compound Name |
3-(2-(2-(cyclohexylmethoxy)-5-(trifluoromethyl)phenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C26H26F3NO3
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| Molecular Weight |
457.492
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| Canonical SMILES |
Cc1ccc(-c2cc(C(F)(F)F)ccc2OCC2CCCCC2)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C26H26F3NO3/c1-17-10-12-23(30(17)21-9-5-8-19(14-21)25(31)32)22-15-20(26(27,28)29)11-13-24(22)33-16-18-6-3-2-4-7-18/h5,8-15,18H,2-4,6-7,16H2,1H3,(H,31,32)
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| InChIKey |
ZTBMJJPIKCBFCN-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