General Information of the Compound
| Compound ID |
CP0502824
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| Compound Name |
6-(4-methoxyphenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H27N3O4S
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| Molecular Weight |
477.586
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| Canonical SMILES |
COc1ccc(cc1)-c1cc2ncn(-c3ccc(OCCN4CCCC4)c(OC)c3)c(=O)c2s1
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| InChI |
InChI=1S/C26H27N3O4S/c1-31-20-8-5-18(6-9-20)24-16-21-25(34-24)26(30)29(17-27-21)19-7-10-22(23(15-19)32-2)33-14-13-28-11-3-4-12-28/h5-10,15-17H,3-4,11-14H2,1-2H3
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| InChIKey |
ZTNBIEKDJCSBRV-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