General Information of the Compound
| Compound ID |
CP0846031
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| Compound Name |
SID104219484
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| Structure |
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| Formula |
C18H19NO2S2
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| Molecular Weight |
345.489
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| Canonical SMILES |
O=CO.c1ccc2c(c1)CSc1sccc1C2=C1CCNCC1
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| InChI |
InChI=1S/C17H17NS2.CH2O2/c1-2-4-14-13(3-1)11-20-17-15(7-10-19-17)16(14)12-5-8-18-9-6-12;2-1-3/h1-4,7,10,18H,5-6,8-9,11H2;1H,(H,2,3)
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| InChIKey |
RLCJVPSOCDTFAZ-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
Protein ID: PT06109, Geminin
Protein ID: PT01214, Tyrosine-protein kinase JAK2