General Information of the Compound
| Compound ID |
CP0555757
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| Compound Name |
6-(1,3-dimethylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C19H17N7S
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| Molecular Weight |
375.461
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| Canonical SMILES |
C[C@H](c1nnc2sc(nn12)-c1cn(C)nc1C)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C19H17N7S/c1-11(13-6-7-16-14(9-13)5-4-8-20-16)17-21-22-19-26(17)24-18(27-19)15-10-25(3)23-12(15)2/h4-11H,1-3H3/t11-/m0/s1
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| InChIKey |
NKVYDBNTELEPBO-NSHDSACASA-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: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01201, Hepatocyte growth factor receptor