General Information of the Compound
| Compound ID |
CP0557737
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| Compound Name |
3-[4-[5-(2-hydroxyethyl)-1,2-oxazol-3-yl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C27H19F3N4O4
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| Molecular Weight |
520.467
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| Canonical SMILES |
OCCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C27H19F3N4O4/c28-27(29,30)21-7-5-18(6-8-21)25-15-34(33-31-25)22-12-19(11-20(13-22)26(36)37)16-1-3-17(4-2-16)24-14-23(9-10-35)38-32-24/h1-8,11-15,35H,9-10H2,(H,36,37)
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| InChIKey |
POBSOFFHLDUCGW-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