General Information of the Compound
| Compound ID |
CP0448894
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| Compound Name |
9-chloro-7-(4-cyclopropylpyridin-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 |
C19H17ClN4
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| Molecular Weight |
336.826
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| Canonical SMILES |
Cc1nnc2CCc3cc(cc(Cl)c3-n12)-c1cnccc1C1CC1
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| InChI |
InChI=1S/C19H17ClN4/c1-11-22-23-18-5-4-13-8-14(9-17(20)19(13)24(11)18)16-10-21-7-6-15(16)12-2-3-12/h6-10,12H,2-5H2,1H3
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| InChIKey |
BMTHHLLPARVMJH-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