General Information of the Compound
| Compound ID |
CP0533330
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| Compound Name |
2-(4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinolin-8-yl)phenyl)acetonitrile
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| Structure |
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| Formula |
C19H14N4O
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| Molecular Weight |
314.348
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| Canonical SMILES |
Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CC#N)cc1
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| InChI |
InChI=1S/C19H14N4O/c1-12-10-18-21-22-19(24)23(18)17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-20/h2-7,10-11H,8H2,1H3,(H,22,24)
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| InChIKey |
UUDDIRQFAAVPIH-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