General Information of the Compound
| Compound ID |
CP0430265
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| Compound Name |
3-[4-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenoxy]butoxy]-4-methoxy-1,2,5-oxadiazole
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| Structure |
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| Formula |
C31H35N3O6
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| Molecular Weight |
545.636
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| Canonical SMILES |
COc1nonc1OCCCCOc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C31H35N3O6/c1-35-28-18-25-14-15-34(21-26(25)19-29(28)36-2)20-22-6-8-23(9-7-22)24-10-12-27(13-11-24)38-16-4-5-17-39-31-30(37-3)32-40-33-31/h6-13,18-19H,4-5,14-17,20-21H2,1-3H3
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| InChIKey |
AJZNPNXPGWPMRB-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