General Information of the Compound
| Compound ID |
CP0379897
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| Compound Name |
2-[3-[2-[(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1-c1ccc(cc1Cn1c(C)nnc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N3O3/c1-13-27-28-22(15-4-5-15)29(13)12-16-11-17(23(24,25)26)6-7-18(16)19-9-14(10-21(30)31)3-8-20(19)32-2/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,30,31)
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| InChIKey |
SPLBIWQRJNFCJW-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