General Information of the Compound
| Compound ID |
CP0578028
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| Compound Name |
(5S)-7-N-(3-cyano-4-fluorophenyl)-5-methyl-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 |
C19H18F4N6O2
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| Molecular Weight |
438.385
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| Canonical SMILES |
C[C@@H](NC(=O)c1ncn2[C@@H](C)CN(Cc12)C(=O)Nc1ccc(F)c(c1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C19H18F4N6O2/c1-10-7-28(18(31)27-13-3-4-14(20)12(5-13)6-24)8-15-16(25-9-29(10)15)17(30)26-11(2)19(21,22)23/h3-5,9-11H,7-8H2,1-2H3,(H,26,30)(H,27,31)/t10-,11+/m0/s1
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| InChIKey |
PNPWRTVFLBVPGM-WDEREUQCSA-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