General Information of the Compound
| Compound ID |
CP0442677
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| Compound Name |
1-methyl-7-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C16H14N4
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| Molecular Weight |
262.316
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| Canonical SMILES |
Cc1nnc2CCc3cc(ccc3-n12)-c1cccnc1
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| InChI |
InChI=1S/C16H14N4/c1-11-18-19-16-7-5-13-9-12(4-6-15(13)20(11)16)14-3-2-8-17-10-14/h2-4,6,8-10H,5,7H2,1H3
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| InChIKey |
TXDKBFFENSXLEB-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