General Information of the Compound
| Compound ID |
CP0396041
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| Compound Name |
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
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| Structure |
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| Formula |
C22H24N2O3S
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| Molecular Weight |
396.512
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)cs1
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| InChI |
InChI=1S/C22H24N2O3S/c1-25-19-6-4-15(5-7-19)22-23-18(14-28-22)13-24-9-8-16-10-20(26-2)21(27-3)11-17(16)12-24/h4-7,10-11,14H,8-9,12-13H2,1-3H3
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| InChIKey |
CILWRSDWEVZXPT-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1