General Information of the Compound
| Compound ID |
CP0105991
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| Compound Name |
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 |
C13H10N6S
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| Molecular Weight |
282.332
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| Canonical SMILES |
C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1
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| InChI |
InChI=1S/C13H10N6S/c1-2-4-9(5-3-1)10-8-11(16-15-10)12-17-18-13-19(12)14-6-7-20-13/h1-6,8H,7H2,(H,15,16)
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| InChIKey |
DMAQGOLEDCMJHD-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