General Information of the Compound
| Compound ID |
CP0415689
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| Compound Name |
[4-[6-ethyl-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
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| Structure |
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| Formula |
C27H29N5O2S
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| Molecular Weight |
487.629
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| Canonical SMILES |
CCc1cc2c(nc(NCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H29N5O2S/c1-2-22-18-23-24(29-27(28-12-17-33)30-25(23)35-22)31-13-15-32(16-14-31)26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,33H,2,12-17H2,1H3,(H,28,29,30)
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| InChIKey |
DWVXAWSBAQFJDD-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