General Information of the Compound
| Compound ID |
CP0579018
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| Compound Name |
3-chloro-4-[4-[3-(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 |
C18H12ClF3N4O3
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| Molecular Weight |
424.766
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| Canonical SMILES |
FC(F)(F)c1cccc(Oc2ncnc3CN(CCc23)C2=C(Cl)C(=O)NC2=O)c1
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| InChI |
InChI=1S/C18H12ClF3N4O3/c19-13-14(16(28)25-15(13)27)26-5-4-11-12(7-26)23-8-24-17(11)29-10-3-1-2-9(6-10)18(20,21)22/h1-3,6,8H,4-5,7H2,(H,25,27,28)
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| InChIKey |
OLMFNTQCTZHFPB-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