General Information of the Compound
| Compound ID |
CP0542430
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| Compound Name |
6-(3-iodophenyl)-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 |
C25H24IN3O3S
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| Molecular Weight |
573.456
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1cccc(I)c1
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| InChI |
InChI=1S/C25H24IN3O3S/c1-31-22-14-19(7-8-21(22)32-12-11-28-9-2-3-10-28)29-16-27-20-15-23(33-24(20)25(29)30)17-5-4-6-18(26)13-17/h4-8,13-16H,2-3,9-12H2,1H3
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| InChIKey |
OIQBXTYXPJQSIQ-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