General Information of the Compound
| Compound ID |
CP0546093
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| Compound Name |
(6S)-7-N-(3,4-difluorophenyl)-6-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 |
C18H18F5N5O2
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| Molecular Weight |
431.365
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| Canonical SMILES |
C[C@@H](NC(=O)c1ncn2C[C@H](C)N(Cc12)C(=O)Nc1ccc(F)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F5N5O2/c1-9-6-27-8-24-15(16(29)25-10(2)18(21,22)23)14(27)7-28(9)17(30)26-11-3-4-12(19)13(20)5-11/h3-5,8-10H,6-7H2,1-2H3,(H,25,29)(H,26,30)/t9-,10+/m0/s1
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| InChIKey |
OYDRJZKKQDYCNI-VHSXEESVSA-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