General Information of the Compound
| Compound ID |
CP0314961
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| Compound Name |
3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-5-(3-methyl-1,2-thiazol-5-yl)triazolo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C21H18N6O2S
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| Molecular Weight |
418.482
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| Canonical SMILES |
COc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12
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| InChI |
InChI=1S/C21H18N6O2S/c1-12-8-19(30-24-12)26-7-6-18-20(21(26)28)27(25-23-18)13(2)14-4-5-17-15(9-14)10-16(29-3)11-22-17/h4-11,13H,1-3H3/t13-/m0/s1
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| InChIKey |
JVDYRYXVFKFESW-ZDUSSCGKSA-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