General Information of the Compound
| Compound ID |
CP0570270
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| Compound Name |
3-chloro-4-[4-[4-fluoro-2-(trifluoromethyl)phenoxy]-2-methyl-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 |
C19H13ClF4N4O3
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| Molecular Weight |
456.783
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| Canonical SMILES |
Cc1nc2CN(CCc2c(Oc2ccc(F)cc2C(F)(F)F)n1)C1=C(Cl)C(=O)NC1=O
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| InChI |
InChI=1S/C19H13ClF4N4O3/c1-8-25-12-7-28(15-14(20)16(29)27-17(15)30)5-4-10(12)18(26-8)31-13-3-2-9(21)6-11(13)19(22,23)24/h2-3,6H,4-5,7H2,1H3,(H,27,29,30)
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| InChIKey |
DPATUHNUTTZBBN-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