General Information of the Compound
| Compound ID |
CP0492297
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| Compound Name |
4-[[4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-sulfonamide
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| Formula |
C28H29N7O3S2
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| Molecular Weight |
575.72
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| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(N)(=O)=O)cc2)nc2ccsc12
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| InChI |
InChI=1S/C28H29N7O3S2/c1-19-16-22(4-3-10-29)17-20(2)25(19)38-27-26-24(9-15-39-26)32-28(33-27)31-23-7-5-21(6-8-23)18-34-11-13-35(14-12-34)40(30,36)37/h3-9,15-17H,11-14,18H2,1-2H3,(H2,30,36,37)(H,31,32,33)/b4-3+
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| InChIKey |
MFLAVNPTRFOLPB-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