General Information of the Compound
| Compound ID |
CP0546092
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| Compound Name |
7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
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| Structure |
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| Formula |
C18H16F4N6O2
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| Molecular Weight |
424.358
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| Canonical SMILES |
C[C@@H](NC(=O)c1ncn2CCN(Cc12)C(=O)Nc1ccc(F)c(c1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C18H16F4N6O2/c1-10(18(20,21)22)25-16(29)15-14-8-27(4-5-28(14)9-24-15)17(30)26-12-2-3-13(19)11(6-12)7-23/h2-3,6,9-10H,4-5,8H2,1H3,(H,25,29)(H,26,30)/t10-/m1/s1
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| InChIKey |
IDVZJSAWSPFTIC-SNVBAGLBSA-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