General Information of the Compound
| Compound ID |
CP0060127
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| Compound Name |
5-(2-chloro-3-methoxyanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
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| Structure |
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| Formula |
C21H17ClN4O2
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| Molecular Weight |
392.846
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| Canonical SMILES |
CNC(=O)c1cccc2c1nc(Nc1cccc(OC)c1Cl)c1ccncc21
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| InChI |
InChI=1S/C21H17ClN4O2/c1-23-21(27)14-6-3-5-12-15-11-24-10-9-13(15)20(26-19(12)14)25-16-7-4-8-17(28-2)18(16)22/h3-11H,1-2H3,(H,23,27)(H,25,26)
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| InChIKey |
IUFOLPOPTPIBRL-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: PT01301, Bcl2-associated agonist of cell death
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 240 nM
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LO
TS
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| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 420 nM
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TI
LI
LO
TS
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