General Information of the Compound
| Compound ID |
CP0483737
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| Compound Name |
methyl 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 |
C25H20ClN7O3
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| Molecular Weight |
501.934
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| Canonical SMILES |
COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(Cl)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1
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| InChI |
InChI=1S/C25H20ClN7O3/c1-36-25(35)22-20(16-11-13-10-14(26)7-8-17(13)33-24(16)29-30-31-33)21-18(5-2-6-19(21)34)32(23(22)27)15-4-3-9-28-12-15/h3-4,7-12,20H,2,5-6,27H2,1H3
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| InChIKey |
ZYYJHCQYLROBNC-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