General Information of the Compound
| Compound ID |
CP0538565
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| Compound Name |
N-[4-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)Cc2cc1O
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| InChI |
InChI=1S/C27H30N2O3/c1-32-26-18-23-13-16-29(19-24(23)17-25(26)30)15-6-5-14-28-27(31)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-12,17-18,30H,5-6,13-16,19H2,1H3,(H,28,31)
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| InChIKey |
WLGXAVSOEWKYQS-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