General Information of the Compound
| Compound ID |
CP0447505
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| Compound Name |
1-[6-(4-methoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethanone
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| Structure |
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| Formula |
C22H20N6O2S
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| Molecular Weight |
432.509
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| Canonical SMILES |
COc1ccc(cc1)C1CSc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N1C(C)=O
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| InChI |
InChI=1S/C22H20N6O2S/c1-14(29)27-20(16-8-10-17(30-2)11-9-16)13-31-22-26-25-21(28(22)27)19-12-18(23-24-19)15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3,(H,23,24)
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| InChIKey |
OPFCDJGPHLBHPQ-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