General Information of the Compound
| Compound ID |
CP0492012
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| Compound Name |
3-[4-(2-amino-2-oxoethyl)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C24H17F3N4O3
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| Molecular Weight |
466.419
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| Canonical SMILES |
NC(=O)Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C24H17F3N4O3/c25-24(26,27)19-7-5-16(6-8-19)21-13-31(30-29-21)20-11-17(10-18(12-20)23(33)34)15-3-1-14(2-4-15)9-22(28)32/h1-8,10-13H,9H2,(H2,28,32)(H,33,34)
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| InChIKey |
VWBMKFNCCBSKQL-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