General Information of the Compound
| Compound ID |
CP0217009
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| Compound Name |
6-pyridin-4-yl-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C15H13N7S
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| Molecular Weight |
323.385
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| Canonical SMILES |
C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccncc1
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| InChI |
InChI=1S/C15H13N7S/c1-2-10-11(3-1)17-18-13(10)14-19-20-15-22(14)21-12(8-23-15)9-4-6-16-7-5-9/h4-7H,1-3,8H2,(H,17,18)
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| InChIKey |
LGMXKAFOZXXFQI-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