General Information of the Compound
| Compound ID |
CP0410563
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| Compound Name |
2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]-N-(4-methylphenyl)benzamide
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| Structure |
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| Formula |
C30H33N5O4
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| Molecular Weight |
527.625
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| Canonical SMILES |
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(C)cc4)nn3)Cc2cc1OC
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| InChI |
InChI=1S/C30H33N5O4/c1-21-8-10-24(11-9-21)31-30(36)26-6-4-5-7-27(26)39-20-25-19-35(33-32-25)15-14-34-13-12-22-16-28(37-2)29(38-3)17-23(22)18-34/h4-11,16-17,19H,12-15,18,20H2,1-3H3,(H,31,36)
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| InChIKey |
VBZMWGPVWJHSCM-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