General Information of the Compound
| Compound ID |
CP0576811
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| Compound Name |
7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide
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| Structure |
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| Formula |
C16H15F5N6O2
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| Molecular Weight |
418.326
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| Canonical SMILES |
C[C@@H](NC(=O)c1nnc2CN(CCn12)C(=O)Nc1ccc(F)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C16H15F5N6O2/c1-8(16(19,20)21)22-14(28)13-25-24-12-7-26(4-5-27(12)13)15(29)23-9-2-3-10(17)11(18)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,22,28)(H,23,29)/t8-/m1/s1
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| InChIKey |
YCBVCXNUNCODEX-MRVPVSSYSA-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