General Information of the Compound
| Compound ID |
CP0541283
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C29H24ClN5O2S
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| Molecular Weight |
542.064
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| Canonical SMILES |
COc1ccc(Cn2c(nc3ccc(cc23)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)N(C)C)cc1
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| InChI |
InChI=1S/C29H24ClN5O2S/c1-33(2)29-32-23-13-10-21(14-25(23)34(29)16-18-4-11-22(37-3)12-5-18)35-17-31-24-15-26(38-27(24)28(35)36)19-6-8-20(30)9-7-19/h4-15,17H,16H2,1-3H3
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| InChIKey |
MHLVGKWMEPPXSU-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