General Information of the Compound
| Compound ID |
CP0542210
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| Compound Name |
2-[(4-chlorobenzoyl)-[[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]amino]acetic acid
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| Structure |
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| Formula |
C22H16ClF3N2O4
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| Molecular Weight |
464.827
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| Canonical SMILES |
OC(=O)CN(Cc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H16ClF3N2O4/c23-17-6-3-15(4-7-17)21(31)28(13-20(29)30)12-14-1-8-18(9-2-14)32-19-10-5-16(11-27-19)22(24,25)26/h1-11H,12-13H2,(H,29,30)
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| InChIKey |
WVVHFASYLHDCPT-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