General Information of the Compound
| Compound ID |
CP0078324
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| Compound Name |
[2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-6-methyl-3-pyrazin-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 |
C18H14ClF3N6O
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| Molecular Weight |
422.798
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| Canonical SMILES |
C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1cnccn1
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| InChI |
InChI=1S/C18H14ClF3N6O/c1-10-8-28-14(25-26-16(28)13-7-23-5-6-24-13)9-27(10)17(29)11-3-2-4-12(15(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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| InChIKey |
CBALFSAMBBBIDC-JTQLQIEISA-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