General Information of the Compound
| Compound ID |
CP0426553
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| Compound Name |
4-[4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]thieno[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-sulfonamide
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| Formula |
C27H27N7O3S2
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| Molecular Weight |
561.693
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| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(N)(=O)=O)nc2sccc12
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| InChI |
InChI=1S/C27H27N7O3S2/c1-18-16-20(4-3-10-28)17-19(2)24(18)37-25-23-9-15-38-26(23)32-27(31-25)30-21-5-7-22(8-6-21)33-11-13-34(14-12-33)39(29,35)36/h3-9,15-17H,11-14H2,1-2H3,(H2,29,35,36)(H,30,31,32)/b4-3+
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| InChIKey |
WTHHTULGDNIPBZ-ONEGZZNKSA-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