General Information of the Compound
| Compound ID |
CP0575542
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| Compound Name |
N-[3-[[[6-phenyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C24H25N5OS
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| Molecular Weight |
431.565
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| Canonical SMILES |
CC(C)Nc1nc(NCc2cccc(NC(C)=O)c2)c2sc(cc2n1)-c1ccccc1
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| InChI |
InChI=1S/C24H25N5OS/c1-15(2)26-24-28-20-13-21(18-9-5-4-6-10-18)31-22(20)23(29-24)25-14-17-8-7-11-19(12-17)27-16(3)30/h4-13,15H,14H2,1-3H3,(H,27,30)(H2,25,26,28,29)
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| InChIKey |
WRGIOFBIEGRRJR-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