General Information of the Compound
| Compound ID |
CP0034665
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| Compound Name |
3-[4-amino-5-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidin-6-yl]-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C25H26N6O2S
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| Molecular Weight |
474.59
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| Canonical SMILES |
CN(C)C(=O)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C25H26N6O2S/c1-15-5-4-6-18(13-15)30-25(33)29-17-9-7-16(8-10-17)21-19(11-12-20(32)31(2)3)34-24-22(21)23(26)27-14-28-24/h4-10,13-14H,11-12H2,1-3H3,(H2,26,27,28)(H2,29,30,33)
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| InChIKey |
NNHRULFQQIVXMY-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