General Information of the Compound
| Compound ID |
CP0459471
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| Compound Name |
2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C18H13F3N4O3
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| Molecular Weight |
390.321
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| Canonical SMILES |
Cc1cnc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)o1
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| InChI |
InChI=1S/C18H13F3N4O3/c1-11-8-22-16(27-11)10-25-17(26)24-9-13(4-7-15(24)23-25)12-2-5-14(6-3-12)28-18(19,20)21/h2-9H,10H2,1H3
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| InChIKey |
XODNHLRRHIVGBX-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