General Information of the Compound
| Compound ID |
CP0362298
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| Compound Name |
8-chloro-4-(oxan-4-ylamino)-6-pyridin-3-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C20H19ClN4O2
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| Molecular Weight |
382.851
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| Canonical SMILES |
NC(=O)c1cnc2c(Cl)cc(cc2c1NC1CCOCC1)-c1cccnc1
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| InChI |
InChI=1S/C20H19ClN4O2/c21-17-9-13(12-2-1-5-23-10-12)8-15-18(25-14-3-6-27-7-4-14)16(20(22)26)11-24-19(15)17/h1-2,5,8-11,14H,3-4,6-7H2,(H2,22,26)(H,24,25)
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| InChIKey |
QDVUQPDAAVQTTI-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
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR