General Information of the Compound
| Compound ID |
CP0459995
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| Compound Name |
8-chloro-7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C20H15ClN4
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| Molecular Weight |
346.821
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| Canonical SMILES |
Cc1nnc2CCc3cc(c(Cl)cc3-n12)-c1cncc2ccccc12
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| InChI |
InChI=1S/C20H15ClN4/c1-12-23-24-20-7-6-13-8-16(18(21)9-19(13)25(12)20)17-11-22-10-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7H2,1H3
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| InChIKey |
UBCIZDZFHHHVLK-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