General Information of the Compound
| Compound ID |
CP0430264
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| Compound Name |
4-[2-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenoxy]ethoxy]-1,2,5-oxadiazole-3-carbonitrile
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| Structure |
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| Formula |
C29H28N4O5
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| Molecular Weight |
512.566
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4C#N)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C29H28N4O5/c1-34-27-15-23-11-12-33(19-24(23)16-28(27)35-2)18-20-3-5-21(6-4-20)22-7-9-25(10-8-22)36-13-14-37-29-26(17-30)31-38-32-29/h3-10,15-16H,11-14,18-19H2,1-2H3
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| InChIKey |
JZQVLZHXVLSOOU-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