General Information of the Compound
| Compound ID |
CP0519867
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| Compound Name |
4-[(7-cyclopentyloxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol
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| Structure |
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| Formula |
C23H29NO4
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| Molecular Weight |
383.488
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| Canonical SMILES |
COc1cc(CN2CCc3cc(OC)c(OC4CCCC4)cc3C2)ccc1O
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| InChI |
InChI=1S/C23H29NO4/c1-26-21-11-16(7-8-20(21)25)14-24-10-9-17-12-22(27-2)23(13-18(17)15-24)28-19-5-3-4-6-19/h7-8,11-13,19,25H,3-6,9-10,14-15H2,1-2H3
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| InChIKey |
LEESXCIZKAVLHS-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