General Information of the Compound
| Compound ID |
CP0485587
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| Compound Name |
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H23N3O3S2
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| Molecular Weight |
453.589
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1cccs1
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| InChI |
InChI=1S/C23H23N3O3S2/c1-28-19-13-16(6-7-18(19)29-11-10-25-8-2-3-9-25)26-15-24-17-14-21(20-5-4-12-30-20)31-22(17)23(26)27/h4-7,12-15H,2-3,8-11H2,1H3
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| InChIKey |
UDSQDEMTYHHPPV-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