General Information of the Compound
| Compound ID |
CP0040950
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| Compound Name |
7-[5-(2-methoxypropan-2-yl)pyridin-3-yl]-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
COC(C)(C)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
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| InChI |
InChI=1S/C20H22N4O/c1-13-22-23-19-8-6-15-9-14(5-7-18(15)24(13)19)16-10-17(12-21-11-16)20(2,3)25-4/h5,7,9-12H,6,8H2,1-4H3
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| InChIKey |
MDISRFPYOOBZRK-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