General Information of the Compound
| Compound ID |
CP0093136
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| Compound Name |
1-[[6-(hydroxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione
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| Structure |
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| Formula |
C17H14N4O3S2
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| Molecular Weight |
386.458
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| Canonical SMILES |
CC1=CC(=O)N(Nc2nc(nc3sc(CO)c(C)c23)-c2cccs2)C1=O
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| InChI |
InChI=1S/C17H14N4O3S2/c1-8-6-12(23)21(17(8)24)20-15-13-9(2)11(7-22)26-16(13)19-14(18-15)10-4-3-5-25-10/h3-6,22H,7H2,1-2H3,(H,18,19,20)
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| InChIKey |
VLMDCAYEZKYPJM-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