General Information of the Compound
| Compound ID |
CP0536628
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| Compound Name |
6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloropyrrolo[3,4-d]pyrimidine-5,7-dione
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| Structure |
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| Formula |
C15H6ClF6N3O2
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| Molecular Weight |
409.673
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| Canonical SMILES |
FC(F)(F)c1cc(CN2C(=O)c3cnc(Cl)nc3C2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H6ClF6N3O2/c16-13-23-4-9-10(24-13)12(27)25(11(9)26)5-6-1-7(14(17,18)19)3-8(2-6)15(20,21)22/h1-4H,5H2
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| InChIKey |
TXZVQQKOUMZKAA-UHFFFAOYSA-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