General Information of the Compound
| Compound ID |
CP0481782
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| Compound Name |
N-[4-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-methoxybenzamide
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| Structure |
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| Formula |
C22H28N2O4
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| Molecular Weight |
384.476
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NCCCCN1CCc2cc(OC)c(O)cc2C1
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| InChI |
InChI=1S/C22H28N2O4/c1-27-19-7-5-16(6-8-19)22(26)23-10-3-4-11-24-12-9-17-14-21(28-2)20(25)13-18(17)15-24/h5-8,13-14,25H,3-4,9-12,15H2,1-2H3,(H,23,26)
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| InChIKey |
JFKCCUAHUNXNFQ-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