General Information of the Compound
| Compound ID |
CP0428747
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| Compound Name |
1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridin-3-yl]ethanol
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| Structure |
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| Formula |
C18H17FN4O
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| Molecular Weight |
324.359
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| Canonical SMILES |
CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
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| InChI |
InChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3
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| InChIKey |
MLLPBNCNYCSIMJ-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