General Information of the Compound
| Compound ID |
CP0405682
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| Compound Name |
4-[[4-[[4-[2,6-dimethyl-4-(2-pyridin-2-ylethynyl)phenoxy]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C33H32N6O3S2
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| Molecular Weight |
624.792
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#Cc1ccccn1
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| InChI |
InChI=1S/C33H32N6O3S2/c1-22-19-25(6-9-26-5-3-4-15-35-26)20-23(2)30(22)42-32-31-29(14-18-43-31)37-33(38-32)36-27-12-16-39(17-13-27)21-24-7-10-28(11-8-24)44(34,40)41/h3-5,7-8,10-11,14-15,18-20,27H,12-13,16-17,21H2,1-2H3,(H2,34,40,41)(H,36,37,38)
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| InChIKey |
JXOLKFFXRIEMQA-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