General Information of the Compound
| Compound ID |
CP0137427
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| Compound Name |
1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one
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| Structure |
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| Formula |
C18H20N2O3S
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| Molecular Weight |
344.436
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| Canonical SMILES |
CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12
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| InChI |
InChI=1S/C18H20N2O3S/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3
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| InChIKey |
YDQFGJFCLNZQJY-UHFFFAOYSA-N
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| CAS |
86455-91-6
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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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8