General Information of the Compound
| Compound ID |
CP0494510
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| Compound Name |
ethyl 2-amino-4-(7-chlorotetrazolo[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 |
C26H22ClN7O3
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| Molecular Weight |
515.961
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| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(Cl)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1
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| InChI |
InChI=1S/C26H22ClN7O3/c1-2-37-26(36)23-21(17-12-14-11-15(27)8-9-18(14)34-25(17)30-31-32-34)22-19(6-3-7-20(22)35)33(24(23)28)16-5-4-10-29-13-16/h4-5,8-13,21H,2-3,6-7,28H2,1H3
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| InChIKey |
NZCFZYLWOZGILT-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