General Information of the Compound
| Compound ID |
CP0537595
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| Compound Name |
4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(COC)cc1)C(N)=O
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| InChI |
InChI=1S/C24H29N3O2/c1-4-16(5-2)13-27-23-20-12-19(18-8-6-17(7-9-18)15-29-3)10-11-22(20)26-14-21(23)24(25)28/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,25,28)(H,26,27)
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| InChIKey |
LWCNAFKJBINERT-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