General Information of the Compound
| Compound ID |
CP0380088
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| Compound Name |
2-[5-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridin-3-yl]propan-2-ol
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| Structure |
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| Formula |
C19H20N4O
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| Molecular Weight |
320.396
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| Canonical SMILES |
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)C(C)(C)O
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| InChI |
InChI=1S/C19H20N4O/c1-12-21-22-18-7-5-14-8-13(4-6-17(14)23(12)18)15-9-16(11-20-10-15)19(2,3)24/h4,6,8-11,24H,5,7H2,1-3H3
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| InChIKey |
VTUCMYOGRJBFIC-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