General Information of the Compound
| Compound ID |
CP0217026
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| Compound Name |
2-[6-(4-methoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanamine
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| Structure |
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| Formula |
C22H21N7OS
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| Molecular Weight |
431.525
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| Canonical SMILES |
COc1ccc(cc1)C1=Nn2c(SC1CCN)nnc2-c1cc(n[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C22H21N7OS/c1-30-16-9-7-15(8-10-16)20-19(11-12-23)31-22-27-26-21(29(22)28-20)18-13-17(24-25-18)14-5-3-2-4-6-14/h2-10,13,19H,11-12,23H2,1H3,(H,24,25)
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| InChIKey |
QVOHKXJSSDTGGL-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