General Information of the Compound
| Compound ID |
CP0441535
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| Compound Name |
4,6-dimethyl-11-thia-2,4,5-triazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5-trien-8-one
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| Structure |
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| Formula |
C10H11N3OS
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| Molecular Weight |
221.285
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| Canonical SMILES |
Cc1nn(C)c2nc3CSCc3c(O)c12
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| InChI |
InChI=1S/C10H11N3OS/c1-5-8-9(14)6-3-15-4-7(6)11-10(8)13(2)12-5/h3-4H2,1-2H3,(H,11,14)
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| InChIKey |
ZWNLFVIBRHFZCW-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