General Information of the Compound
| Compound ID |
CP0105047
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| Compound Name |
2-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxamide
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| Structure |
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| Formula |
C18H18N4O3S3
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| Molecular Weight |
434.568
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| Canonical SMILES |
Cc1sc2nc(SCC(=O)Nc3sccc3C(N)=O)n(CC=C)c(=O)c2c1C
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| InChI |
InChI=1S/C18H18N4O3S3/c1-4-6-22-17(25)13-9(2)10(3)28-16(13)21-18(22)27-8-12(23)20-15-11(14(19)24)5-7-26-15/h4-5,7H,1,6,8H2,2-3H3,(H2,19,24)(H,20,23)
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| InChIKey |
FUZIWPKANNHWFY-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: PT02805, CREB-binding protein
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic