General Information of the Compound
| Compound ID |
CP0181456
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| Compound Name |
7-methyl-6-phenyl-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 |
C20H16N6S
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| Molecular Weight |
372.457
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| Canonical SMILES |
CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1
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| InChI |
InChI=1S/C20H16N6S/c1-13-18(15-10-6-3-7-11-15)25-26-19(23-24-20(26)27-13)17-12-16(21-22-17)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,22)
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| InChIKey |
OMXOROAIBLTXLR-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