General Information of the Compound
| Compound ID |
CP0217011
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| Compound Name |
6-(5-chlorothiophen-2-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 |
C14H11ClN6S2
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| Molecular Weight |
362.871
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| Canonical SMILES |
Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
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| InChI |
InChI=1S/C14H11ClN6S2/c15-11-5-4-10(23-11)9-6-22-14-19-18-13(21(14)20-9)12-7-2-1-3-8(7)16-17-12/h4-5H,1-3,6H2,(H,16,17)
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| InChIKey |
MFKNYPKFTRCBBQ-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