General Information of the Compound
| Compound ID |
CP0294614
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| Compound Name |
[2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
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| Structure |
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| Formula |
C20H15ClF4N4O
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| Molecular Weight |
438.812
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| Canonical SMILES |
CC1CN(Cc2nnc(-c3ccc(F)cc3)n12)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H15ClF4N4O/c1-11-9-28(19(30)14-3-2-4-15(17(14)21)20(23,24)25)10-16-26-27-18(29(11)16)12-5-7-13(22)8-6-12/h2-8,11H,9-10H2,1H3
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| InChIKey |
YGLDZWHUAGAZTE-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