General Information of the Compound
| Compound ID |
CP0481744
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| Compound Name |
ethyl 2-amino-4-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C27H25N7O3
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| Molecular Weight |
495.543
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| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1
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| InChI |
InChI=1S/C27H25N7O3/c1-3-37-27(36)24-22(18-13-16-12-15(2)9-10-19(16)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)17-6-5-11-29-14-17/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3
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| InChIKey |
NPGBELHVYUDFLP-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 = 7100 nM
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TI
LI
LO
TS
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| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8500 nM
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TI
LI
LO
TS
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