General Information of the Compound
| Compound ID |
CP0452578
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| Compound Name |
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
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| Structure |
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| Formula |
C25H24N4OS
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| Molecular Weight |
428.561
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| Canonical SMILES |
CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H24N4OS/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3
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| InChIKey |
MBBUFEHSVSCHJP-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