General Information of the Compound
| Compound ID |
CP0369408
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| Compound Name |
1-phenyl-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 |
C21H16N4
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| Molecular Weight |
324.387
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| Canonical SMILES |
C1Cc2cc(ccc2-n2c1nnc2-c1ccccc1)-c1cccnc1
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| InChI |
InChI=1S/C21H16N4/c1-2-5-15(6-3-1)21-24-23-20-11-9-17-13-16(8-10-19(17)25(20)21)18-7-4-12-22-14-18/h1-8,10,12-14H,9,11H2
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| InChIKey |
IRIDOYGIOXFPNA-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
Protein ID: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase