General Information of the Compound
| Compound ID |
CP0482701
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| Compound Name |
4-[3-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenoxy]propoxy]-1,2,5-oxadiazole-3-carbonitrile
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| Structure |
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| Formula |
C30H30N4O5
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| Molecular Weight |
526.593
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCCOc4nonc4C#N)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C30H30N4O5/c1-35-28-16-24-12-13-34(20-25(24)17-29(28)36-2)19-21-4-6-22(7-5-21)23-8-10-26(11-9-23)37-14-3-15-38-30-27(18-31)32-39-33-30/h4-11,16-17H,3,12-15,19-20H2,1-2H3
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| InChIKey |
UZVOEPRLGDNYHN-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