General Information of the Compound
| Compound ID |
CP0579019
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| Compound Name |
3-chloro-4-[4-(2-ethynyl-4-fluorophenoxy)-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 |
C19H12ClFN4O3
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| Molecular Weight |
398.781
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| Canonical SMILES |
Fc1ccc(Oc2ncnc3CN(CCc23)C2=C(Cl)C(=O)NC2=O)c(c1)C#C
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| InChI |
InChI=1S/C19H12ClFN4O3/c1-2-10-7-11(21)3-4-14(10)28-19-12-5-6-25(8-13(12)22-9-23-19)16-15(20)17(26)24-18(16)27/h1,3-4,7,9H,5-6,8H2,(H,24,26,27)
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| InChIKey |
YPJHLQYAEGONTJ-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