General Information of the Compound
| Compound ID |
CP0550902
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| Compound Name |
6-[3,5-bis(trifluoromethyl)phenyl]-2-chloropyrrolo[3,4-d]pyrimidine-5,7-dione
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| Structure |
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| Formula |
C14H4ClF6N3O2
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| Molecular Weight |
395.646
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)N1C(=O)c2cnc(Cl)nc2C1=O
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| InChI |
InChI=1S/C14H4ClF6N3O2/c15-12-22-4-8-9(23-12)11(26)24(10(8)25)7-2-5(13(16,17)18)1-6(3-7)14(19,20)21/h1-4H
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| InChIKey |
COBHXBXROORIBO-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