General Information of the Compound
| Compound ID |
CP0488282
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| Compound Name |
9-fluoro-7-pyridin-3-yl-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C20H14FN5
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| Molecular Weight |
343.365
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| Canonical SMILES |
Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
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| InChI |
InChI=1S/C20H14FN5/c21-17-11-16(15-2-1-7-23-12-15)10-14-3-4-18-24-25-20(26(18)19(14)17)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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| InChIKey |
KOCAZTLLBBSERK-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