General Information of the Compound
| Compound ID |
CP0311113
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| Compound Name |
1-[[5-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azepan-2-one
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| Structure |
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| Formula |
C22H21N5O2S2
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| Molecular Weight |
451.577
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| Canonical SMILES |
Cc1ccc(cc1)-c1csc2ncnc(Sc3nnc(CN4CCCCCC4=O)o3)c12
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| InChI |
InChI=1S/C22H21N5O2S2/c1-14-6-8-15(9-7-14)16-12-30-20-19(16)21(24-13-23-20)31-22-26-25-17(29-22)11-27-10-4-2-3-5-18(27)28/h6-9,12-13H,2-5,10-11H2,1H3
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| InChIKey |
WDTJJMFFOIUNKQ-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: PT06124, Paired box protein Pax-8