General Information of the Compound
| Compound ID |
CP0081855
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| Compound Name |
3-(4-{4-amino-6-[2-(dimethylamino)ethyl]thieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C24H26N6OS
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| Molecular Weight |
446.58
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| Canonical SMILES |
CN(C)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C24H26N6OS/c1-15-5-4-6-18(13-15)29-24(31)28-17-9-7-16(8-10-17)20-19(11-12-30(2)3)32-23-21(20)22(25)26-14-27-23/h4-10,13-14H,11-12H2,1-3H3,(H2,25,26,27)(H2,28,29,31)
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| InChIKey |
UUEOQZKZFDNZCH-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