General Information of the Compound
| Compound ID |
CP0152031
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| Compound Name |
3-{4-[4-amino-6-(propan-2-yl)thieno[2,3-d]pyrimidin-5-yl]phenyl}-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C23H23N5OS
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| Molecular Weight |
417.538
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| Canonical SMILES |
CC(C)c1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C23H23N5OS/c1-13(2)20-18(19-21(24)25-12-26-22(19)30-20)15-7-9-16(10-8-15)27-23(29)28-17-6-4-5-14(3)11-17/h4-13H,1-3H3,(H2,24,25,26)(H2,27,28,29)
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| InChIKey |
VNWDQYGXWXVPJM-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