General Information of the Compound
| Compound ID |
CP0518080
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| Compound Name |
6-(4-chlorophenyl)-3-{6-[(dimethylamino)methyl]-7,8-dihydro-2-naphthalenyl}thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H22ClN3OS
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| Molecular Weight |
447.991
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| Canonical SMILES |
CN(C)CC1=Cc2ccc(cc2CC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H22ClN3OS/c1-28(2)14-16-3-4-19-12-21(10-7-18(19)11-16)29-15-27-22-13-23(31-24(22)25(29)30)17-5-8-20(26)9-6-17/h5-13,15H,3-4,14H2,1-2H3
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| InChIKey |
PBLFIAGNVFEMPX-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