General Information of the Compound
| Compound ID |
CP0350268
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| Compound Name |
7-(2-methoxyethyl)-6-(4-methoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C23H22N6O2S
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| Molecular Weight |
446.536
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| Canonical SMILES |
COCCC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1
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| InChI |
InChI=1S/C23H22N6O2S/c1-30-13-12-20-21(16-8-10-17(31-2)11-9-16)28-29-22(26-27-23(29)32-20)19-14-18(24-25-19)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,24,25)
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| InChIKey |
PVUJVPZHECDFFI-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