General Information of the Compound
| Compound ID |
CP0480417
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| Compound Name |
1-[3-[[2-(2-thenylamino)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]-2-pyrrolidone
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| Structure |
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| Formula |
C18H21N5OS2
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| Molecular Weight |
387.534
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| Canonical SMILES |
O=C1CCCN1CCCNc1nc(NCc2cccs2)nc2ccsc12
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| InChI |
InChI=1S/C18H21N5OS2/c24-15-5-1-8-23(15)9-3-7-19-17-16-14(6-11-26-16)21-18(22-17)20-12-13-4-2-10-25-13/h2,4,6,10-11H,1,3,5,7-9,12H2,(H2,19,20,21,22)
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| InChIKey |
WTZVYJHMRNUANN-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3