General Information of the Compound
| Compound ID |
CP0543150
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| Compound Name |
methyl 2-amino-5-oxo-1-pyridin-3-yl-4-(tetrazolo[1,5-a]quinolin-4-yl)-4,6,7,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C25H21N7O3
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| Molecular Weight |
467.489
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| Canonical SMILES |
COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1
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| InChI |
InChI=1S/C25H21N7O3/c1-35-25(34)22-20(16-12-14-6-2-3-8-17(14)32-24(16)28-29-30-32)21-18(9-4-10-19(21)33)31(23(22)26)15-7-5-11-27-13-15/h2-3,5-8,11-13,20H,4,9-10,26H2,1H3
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| InChIKey |
VYCYQJITXAJCMW-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1500 nM
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TI
LI
LO
TS
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| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1100 nM
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TI
LI
LO
TS
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