General Information of the Compound
| Compound ID |
CP0236785
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| Compound Name |
6-(7-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C15H15N5O2S
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| Molecular Weight |
329.385
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| Canonical SMILES |
CCCC1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C15H15N5O2S/c1-2-3-12-14(19-20-8-16-18-15(20)23-12)9-4-5-11-10(6-9)17-13(21)7-22-11/h4-6,8,12H,2-3,7H2,1H3,(H,17,21)
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| InChIKey |
NOXYSWMDJQBBKO-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