General Information of the Compound
| Compound ID |
CP0566357
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| Compound Name |
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(4-propan-2-ylsulfanylphenyl)furan-2-yl]methanone
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| Formula |
C25H27NO4S
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| Molecular Weight |
437.561
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(o1)-c1ccc(SC(C)C)cc1
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| InChI |
InChI=1S/C25H27NO4S/c1-16(2)31-20-7-5-17(6-8-20)21-9-10-22(30-21)25(27)26-12-11-18-13-23(28-3)24(29-4)14-19(18)15-26/h5-10,13-14,16H,11-12,15H2,1-4H3
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| InChIKey |
FVNGMNLMROTIHK-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