General Information of the Compound
| Compound ID |
CP0460316
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| Compound Name |
2-amino-4-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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| Structure |
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| Formula |
C25H20N8O
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| Molecular Weight |
448.49
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| Canonical SMILES |
Cc1ccc2c(c1)cc(C1C(C#N)=C(N)N(C3=C1C(=O)CCC3)c1cccnc1)c1nnnn21
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| InChI |
InChI=1S/C25H20N8O/c1-14-7-8-19-15(10-14)11-17(25-29-30-31-33(19)25)22-18(12-26)24(27)32(16-4-3-9-28-13-16)20-5-2-6-21(34)23(20)22/h3-4,7-11,13,22H,2,5-6,27H2,1H3
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| InChIKey |
FXIJTKOHALGCSK-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