General Information of the Compound
| Compound ID |
CP0946893
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| Compound Name |
1-benzyl-3-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)urea
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| Structure |
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| Formula |
C12H13N5OS
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| Molecular Weight |
275.337
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| Canonical SMILES |
O=C(NCc1ccccc1)Nc1nnc2n1CCS2
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| InChI |
InChI=1S/C12H13N5OS/c18-11(13-8-9-4-2-1-3-5-9)14-10-15-16-12-17(10)6-7-19-12/h1-5H,6-8H2,(H2,13,14,15,18)
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| InChIKey |
BRDLGGNPTNEDOF-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