General Information of the Compound
| Compound ID |
CP0176069
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| Compound Name |
3-[difluoro(quinolin-6-yl)methyl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
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| Structure |
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| Formula |
C17H12F2N8S
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| Molecular Weight |
398.402
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| Canonical SMILES |
Cn1cc(Nc2nn3c(nnc3s2)C(F)(F)c2ccc3ncccc3c2)cn1
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| InChI |
InChI=1S/C17H12F2N8S/c1-26-9-12(8-21-26)22-15-25-27-14(23-24-16(27)28-15)17(18,19)11-4-5-13-10(7-11)3-2-6-20-13/h2-9H,1H3,(H,22,25)
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| InChIKey |
CGHUVPKHBMTXHY-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: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01201, Hepatocyte growth factor receptor