General Information of the Compound
| Compound ID |
CP0528567
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| Compound Name |
6-(4-chlorophenyl)-3-{2-[(dimethylamino)methyl]-1-benzothien-5-yl}thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C23H18ClN3OS2
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| Molecular Weight |
452.004
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| Canonical SMILES |
CN(C)Cc1cc2cc(ccc2s1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H18ClN3OS2/c1-26(2)12-18-10-15-9-17(7-8-20(15)29-18)27-13-25-19-11-21(30-22(19)23(27)28)14-3-5-16(24)6-4-14/h3-11,13H,12H2,1-2H3
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| InChIKey |
XJMIODNDCXPYKT-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