General Information of the Compound
| Compound ID |
CP0446982
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| Compound Name |
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-methyl-6-pyridin-3-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C24H21ClN4O
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| Molecular Weight |
416.912
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| Canonical SMILES |
CNC(=O)c1cnc2ccc(cc2c1N[C@H](C)c1ccc(Cl)cc1)-c1cccnc1
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| InChI |
InChI=1S/C24H21ClN4O/c1-15(16-5-8-19(25)9-6-16)29-23-20-12-17(18-4-3-11-27-13-18)7-10-22(20)28-14-21(23)24(30)26-2/h3-15H,1-2H3,(H,26,30)(H,28,29)/t15-/m1/s1
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| InChIKey |
USODXZBLBBUKBV-OAHLLOKOSA-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