General Information of the Compound
| Compound ID |
CP0486441
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| Compound Name |
2-[(6-chloropyridin-3-yl)amino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
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| Structure |
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| Formula |
C14H13ClN4O
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| Molecular Weight |
288.738
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| Canonical SMILES |
CC1CC(=O)c2cnc(Nc3ccc(Cl)nc3)nc2C1
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| InChI |
InChI=1S/C14H13ClN4O/c1-8-4-11-10(12(20)5-8)7-17-14(19-11)18-9-2-3-13(15)16-6-9/h2-3,6-8H,4-5H2,1H3,(H,17,18,19)
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| InChIKey |
OMKJZXHLXSBVRA-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