General Information of the Compound
| Compound ID |
CP0445665
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| Compound Name |
1-[[6-(4-hydroxyphenyl)-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 |
C21H14N4O3S2
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| Molecular Weight |
434.502
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| Canonical SMILES |
CC1=CC(=O)N(Nc2nc(nc3sc(cc23)-c2ccc(O)cc2)-c2cccs2)C1=O
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| InChI |
InChI=1S/C21H14N4O3S2/c1-11-9-17(27)25(21(11)28)24-18-14-10-16(12-4-6-13(26)7-5-12)30-20(14)23-19(22-18)15-3-2-8-29-15/h2-10,26H,1H3,(H,22,23,24)
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| InChIKey |
ZMHPNUASWIYVMA-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