General Information of the Compound
| Compound ID |
CP0852583
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| Compound Name |
4-((3-((4-(4-Cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl)amino)piperidin-1-yl)methyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H28N6O3S2
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| Molecular Weight |
548.694
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCCN(Cc3ccc(S(N)(=O)=O)cc3)C2)nc2ccsc12
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| InChI |
InChI=1S/C27H28N6O3S2/c1-17-12-20(14-28)13-18(2)24(17)36-26-25-23(9-11-37-25)31-27(32-26)30-21-4-3-10-33(16-21)15-19-5-7-22(8-6-19)38(29,34)35/h5-9,11-13,21H,3-4,10,15-16H2,1-2H3,(H2,29,34,35)(H,30,31,32)
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| InChIKey |
ZBSIUEMPAJMIOG-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