General Information of the Compound
| Compound ID |
CP0359995
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| Compound Name |
N-propan-2-yl-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
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| Structure |
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| Formula |
C19H20N6
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| Molecular Weight |
332.411
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| Canonical SMILES |
CC(C)Nc1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1
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| InChI |
InChI=1S/C19H20N6/c1-12(2)21-17-8-9-18-22-23-19(25(18)24-17)13(3)14-6-7-16-15(11-14)5-4-10-20-16/h4-13H,1-3H3,(H,21,24)/t13-/m0/s1
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| InChIKey |
LLYNUJHWODYAPQ-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