General Information of the Compound
| Compound ID |
CP0057689
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| Compound Name |
3-[4-amino-5-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidin-6-yl]-N-methylpropanamide
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| Structure |
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| Formula |
C24H24N6O2S
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| Molecular Weight |
460.563
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| Canonical SMILES |
CNC(=O)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C24H24N6O2S/c1-14-4-3-5-17(12-14)30-24(32)29-16-8-6-15(7-9-16)20-18(10-11-19(31)26-2)33-23-21(20)22(25)27-13-28-23/h3-9,12-13H,10-11H2,1-2H3,(H,26,31)(H2,25,27,28)(H2,29,30,32)
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| InChIKey |
QNZSSHZYZBZUPX-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