General Information of the Compound
| Compound ID |
CP0745114
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| Compound Name |
N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)benzamide
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| Structure |
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| Formula |
C12H12N4OS
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| Molecular Weight |
260.322
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| Canonical SMILES |
O=C(Nc1nnc2n1CCCS2)c1ccccc1
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| InChI |
InChI=1S/C12H12N4OS/c17-10(9-5-2-1-3-6-9)13-11-14-15-12-16(11)7-4-8-18-12/h1-3,5-6H,4,7-8H2,(H,13,14,17)
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| InChIKey |
YWWGDCFJYFTFQU-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