General Information of the Compound
| Compound ID |
CP0220343
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| Compound Name |
[8,8-dimethyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
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| Structure |
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| Formula |
C17H17FN6OS
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| Molecular Weight |
372.429
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| Canonical SMILES |
Cc1nsc(n1)-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2(C)C
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| InChI |
InChI=1S/C17H17FN6OS/c1-10-19-14(26-22-10)13-20-21-16-17(2,3)24(9-8-23(13)16)15(25)11-4-6-12(18)7-5-11/h4-7H,8-9H2,1-3H3
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| InChIKey |
CGCSZFVIPKLGCF-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