General Information of the Compound
| Compound ID |
CP0253003
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| Compound Name |
[2-chloro-3-(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)-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 |
C19H13ClF4N4O
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| Molecular Weight |
424.785
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| Canonical SMILES |
Fc1ccc(cc1)-c1nnc2CN(CCn12)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H13ClF4N4O/c20-16-13(2-1-3-14(16)19(22,23)24)18(29)27-8-9-28-15(10-27)25-26-17(28)11-4-6-12(21)7-5-11/h1-7H,8-10H2
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| InChIKey |
CGXSPIMMMGDAPS-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