General Information of the Compound
| Compound ID |
CP0446981
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| Compound Name |
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C23H18ClN3O2
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| Molecular Weight |
403.869
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| Canonical SMILES |
C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H18ClN3O2/c1-14(15-4-7-18(24)8-5-15)27-22-19-11-16(17-3-2-10-25-12-17)6-9-21(19)26-13-20(22)23(28)29/h2-14H,1H3,(H,26,27)(H,28,29)/t14-/m1/s1
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| InChIKey |
CTSKGPCOFZYIBJ-CQSZACIVSA-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