General Information of the Compound
| Compound ID |
CP0501120
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| Compound Name |
6-(4-chlorophenyl)-3-[1-[4-(dimethylamino)phenyl]-2-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H22ClN5OS
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| Molecular Weight |
512.038
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| Canonical SMILES |
CN(C)c1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H22ClN5OS/c1-17-31-23-14-22(12-13-25(23)34(17)21-10-8-20(9-11-21)32(2)3)33-16-30-24-15-26(36-27(24)28(33)35)18-4-6-19(29)7-5-18/h4-16H,1-3H3
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| InChIKey |
IIXPVVPLTZJXSU-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