General Information of the Compound
| Compound ID |
CP0254105
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| Compound Name |
3-(4-{4-amino-6-[(dimethylamino)methyl]thieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C23H24N6OS
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| Molecular Weight |
432.553
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| Canonical SMILES |
CN(C)Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C23H24N6OS/c1-14-5-4-6-17(11-14)28-23(30)27-16-9-7-15(8-10-16)19-18(12-29(2)3)31-22-20(19)21(24)25-13-26-22/h4-11,13H,12H2,1-3H3,(H2,24,25,26)(H2,27,28,30)
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| InChIKey |
IYGZACNLMUEZEJ-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