General Information of the Compound
| Compound ID |
CP0430271
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| Compound Name |
3-[2-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenoxy]ethoxy]-4-methoxy-1,2,5-oxadiazole
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| Structure |
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| Formula |
C29H31N3O6
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| Molecular Weight |
517.582
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| Canonical SMILES |
COc1nonc1OCCOc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C29H31N3O6/c1-33-26-16-23-12-13-32(19-24(23)17-27(26)34-2)18-20-4-6-21(7-5-20)22-8-10-25(11-9-22)36-14-15-37-29-28(35-3)30-38-31-29/h4-11,16-17H,12-15,18-19H2,1-3H3
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| InChIKey |
PJOQAKOMOGXSFR-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