General Information of the Compound
| Compound ID |
CP0449453
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| Compound Name |
6-(4-chlorophenyl)-3-(1-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H20ClN5OS
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| Molecular Weight |
461.978
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| Canonical SMILES |
Cn1c(nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N1CCCC1
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| InChI |
InChI=1S/C24H20ClN5OS/c1-28-20-9-8-17(12-18(20)27-24(28)29-10-2-3-11-29)30-14-26-19-13-21(32-22(19)23(30)31)15-4-6-16(25)7-5-15/h4-9,12-14H,2-3,10-11H2,1H3
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| InChIKey |
NAVULPDUKBWACV-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