General Information of the Compound
| Compound ID |
CP0886325
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| Compound Name |
4-fluorophenyl (5S,8S,8aR)-2-(4-cyano-3-(trifluoromethyl)phenyl)-1,3-dioxohexahydro-5,8-methanoimidazo[1,5-a]pyrazine-7(1H)-carboxylate
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| Structure |
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| Formula |
C22H14F4N4O4
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| Molecular Weight |
474.37
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| Canonical SMILES |
N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)Oc4ccc(F)cc4)N3C2=O)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H14F4N4O4/c23-12-2-5-15(6-3-12)34-21(33)28-10-14-8-17(28)18-19(31)30(20(32)29(14)18)13-4-1-11(9-27)16(7-13)22(24,25)26/h1-7,14,17-18H,8,10H2/t14-,17-,18+/m0/s1
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| InChIKey |
CKXSVQMWAXGFRT-JCGIZDLHSA-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