General Information of the Compound
| Compound ID |
CP0543428
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| Compound Name |
(5R,10aS)-5-(4-fluorophenyl)-7,8-dihydroxy-2-[3-(trifluoromethyl)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
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| Structure |
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| Formula |
C24H16F4N2O4
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| Molecular Weight |
472.394
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| Canonical SMILES |
Oc1cc2C[C@@H]3N([C@H](c4ccc(F)cc4)c2cc1O)C(=O)N(C3=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H16F4N2O4/c25-15-6-4-12(5-7-15)21-17-11-20(32)19(31)9-13(17)8-18-22(33)29(23(34)30(18)21)16-3-1-2-14(10-16)24(26,27)28/h1-7,9-11,18,21,31-32H,8H2/t18-,21+/m0/s1
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| InChIKey |
OVHQQVOCLOEDEU-GHTZIAJQSA-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