General Information of the Compound
| Compound ID |
CP0578620
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| Compound Name |
3-chloro-4-[2-ethyl-4-[4-fluoro-2-(trifluoromethyl)phenoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrrole-2,5-dione
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| Structure |
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| Formula |
C20H15ClF4N4O3
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| Molecular Weight |
470.81
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| Canonical SMILES |
CCc1nc2CN(CCc2c(Oc2ccc(F)cc2C(F)(F)F)n1)C1=C(Cl)C(=O)NC1=O
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| InChI |
InChI=1S/C20H15ClF4N4O3/c1-2-14-26-12-8-29(16-15(21)17(30)28-18(16)31)6-5-10(12)19(27-14)32-13-4-3-9(22)7-11(13)20(23,24)25/h3-4,7H,2,5-6,8H2,1H3,(H,28,30,31)
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| InChIKey |
HHURSKBCYNPSTA-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