General Information of the Compound
| Compound ID |
CP0430288
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| Compound Name |
3-[3-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenoxy]propoxy]-4-methyl-1,2,5-oxadiazole
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| Structure |
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| Formula |
C30H33N3O5
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| Molecular Weight |
515.61
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCCOc4nonc4C)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C30H33N3O5/c1-21-30(32-38-31-21)37-16-4-15-36-27-11-9-24(10-12-27)23-7-5-22(6-8-23)19-33-14-13-25-17-28(34-2)29(35-3)18-26(25)20-33/h5-12,17-18H,4,13-16,19-20H2,1-3H3
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| InChIKey |
KEIBDNCEUNQCGA-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