General Information of the Compound
| Compound ID |
CP0494048
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| Compound Name |
4-[[4-[[4-[2,6-dimethyl-4-(2-pyridin-4-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#Cc1ccncc1
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| InChI |
InChI=1S/C33H32N6O3S2/c1-22-19-26(4-3-24-9-14-35-15-10-24)20-23(2)30(22)42-32-31-29(13-18-43-31)37-33(38-32)36-27-11-16-39(17-12-27)21-25-5-7-28(8-6-25)44(34,40)41/h5-10,13-15,18-20,27H,11-12,16-17,21H2,1-2H3,(H2,34,40,41)(H,36,37,38)
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| InChIKey |
YLJPVEKKSCZAQX-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