General Information of the Compound
| Compound ID |
CP0364433
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| Compound Name |
4-(2-ethylbutylamino)-2-methyl-6-pyridin-3-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C22H26N4O
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| Molecular Weight |
362.477
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| Canonical SMILES |
CCC(CC)CNc1c(C(N)=O)c(C)nc2ccc(cc12)-c1cccnc1
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| InChI |
InChI=1S/C22H26N4O/c1-4-15(5-2)12-25-21-18-11-16(17-7-6-10-24-13-17)8-9-19(18)26-14(3)20(21)22(23)27/h6-11,13,15H,4-5,12H2,1-3H3,(H2,23,27)(H,25,26)
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| InChIKey |
PKNRKGRBPOBPCN-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