General Information of the Compound
| Compound ID |
CP0570138
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| Compound Name |
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C27H23F3N4O4
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| Molecular Weight |
524.499
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C27H23F3N4O4/c1-26(2,3)38-25(37)31-21-10-6-16(7-11-21)18-12-19(24(35)36)14-22(13-18)34-15-23(32-33-34)17-4-8-20(9-5-17)27(28,29)30/h4-15H,1-3H3,(H,31,37)(H,35,36)
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| InChIKey |
KKXITPVHXNVVLM-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