General Information of the Compound
| Compound ID |
CP0482698
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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-phenylmethoxy-1,2,5-oxadiazole
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| Structure |
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| Formula |
C35H35N3O6
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| Molecular Weight |
593.68
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4OCc4ccccc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C35H35N3O6/c1-39-32-20-29-16-17-38(23-30(29)21-33(32)40-2)22-25-8-10-27(11-9-25)28-12-14-31(15-13-28)41-18-19-42-34-35(37-44-36-34)43-24-26-6-4-3-5-7-26/h3-15,20-21H,16-19,22-24H2,1-2H3
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| InChIKey |
GOJBPISHGSTDKK-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