General Information of the Compound
| Compound ID |
CP0022319
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| Compound Name |
1-methyl-8-methylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
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| Structure |
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| Formula |
C12H13N3OS2
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| Molecular Weight |
279.39
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| Canonical SMILES |
CSc1sc(C(N)=O)c2CCc3cnn(C)c3-c12
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| InChI |
InChI=1S/C12H13N3OS2/c1-15-9-6(5-14-15)3-4-7-8(9)12(17-2)18-10(7)11(13)16/h5H,3-4H2,1-2H3,(H2,13,16)
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| InChIKey |
RXQSXUFJBOKCAT-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