General Information of the Compound
| Compound ID |
CP0552570
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| Compound Name |
(4-fluorophenyl)-(4-methyl-1-quinolin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
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| Structure |
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| Formula |
C22H18FN5O
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| Molecular Weight |
387.418
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| Canonical SMILES |
CC1N(CCc2c1nnn2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H18FN5O/c1-14-21-19(12-13-27(14)22(29)16-6-9-17(23)10-7-16)28(26-25-21)20-11-8-15-4-2-3-5-18(15)24-20/h2-11,14H,12-13H2,1H3
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| InChIKey |
LRDCYOQEJAADOU-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