General Information of the Compound
| Compound ID |
CP0574645
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| Compound Name |
3-chloro-4-[2-cyclopropyl-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 |
C21H15ClF4N4O3
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| Molecular Weight |
482.821
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| Canonical SMILES |
Fc1ccc(Oc2nc(nc3CN(CCc23)C2=C(Cl)C(=O)NC2=O)C2CC2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15ClF4N4O3/c22-15-16(19(32)29-18(15)31)30-6-5-11-13(8-30)27-17(9-1-2-9)28-20(11)33-14-4-3-10(23)7-12(14)21(24,25)26/h3-4,7,9H,1-2,5-6,8H2,(H,29,31,32)
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| InChIKey |
KDPDTBWBSJYOIF-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