General Information of the Compound
| Compound ID |
CP0447890
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| Compound Name |
N,N-dimethyl-5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C19H19N5O
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| Molecular Weight |
333.395
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| Canonical SMILES |
CN(C)C(=O)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
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| InChI |
InChI=1S/C19H19N5O/c1-12-21-22-18-7-5-14-8-13(4-6-17(14)24(12)18)15-9-16(11-20-10-15)19(25)23(2)3/h4,6,8-11H,5,7H2,1-3H3
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| InChIKey |
LLQSZEPBESZTKT-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial