General Information of the Compound
| Compound ID |
CP0240411
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| Compound Name |
6-(3-chlorophenyl)-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 |
C16H13ClN6S
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| Molecular Weight |
356.842
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| Canonical SMILES |
Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
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| InChI |
InChI=1S/C16H13ClN6S/c17-10-4-1-3-9(7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-5-2-6-12(11)18-19-14/h1,3-4,7H,2,5-6,8H2,(H,18,19)
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| InChIKey |
AKVSJXRSIWVHQE-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