General Information of the Compound
| Compound ID |
CP0442847
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| Compound Name |
6-(4-chlorophenyl)-3-{(2R)-2-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}thieno[3,2-d]pyrimidin-4-(3H)-one
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| Structure |
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| Formula |
C23H20ClN3O3S
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| Molecular Weight |
453.951
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| Canonical SMILES |
CN(C)C[C@@H]1COc2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H20ClN3O3S/c1-26(2)11-17-12-29-20-9-16(7-8-19(20)30-17)27-13-25-18-10-21(31-22(18)23(27)28)14-3-5-15(24)6-4-14/h3-10,13,17H,11-12H2,1-2H3/t17-/m1/s1
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| InChIKey |
WWPGTYXGCMWETG-QGZVFWFLSA-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