General Information of the Compound
| Compound ID |
CP0154755
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| Compound Name |
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyridin-2-yl-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 |
C18H13ClF3N5O
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| Molecular Weight |
407.783
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| Canonical SMILES |
FC(F)(F)c1cccc(C(=O)N2CCn3c(C2)nnc3-c2ccccn2)c1Cl
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| InChI |
InChI=1S/C18H13ClF3N5O/c19-15-11(4-3-5-12(15)18(20,21)22)17(28)26-8-9-27-14(10-26)24-25-16(27)13-6-1-2-7-23-13/h1-7H,8-10H2
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| InChIKey |
QFABBPVMYKHOQR-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