General Information of the Compound
| Compound ID |
CP0438183
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| Compound Name |
(7-cyclopentyloxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-hydroxy-3-methoxyphenyl)methanone
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| Structure |
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| Formula |
C23H27NO5
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| Molecular Weight |
397.471
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| Canonical SMILES |
COc1cc(ccc1O)C(=O)N1CCc2cc(OC)c(OC3CCCC3)cc2C1
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| InChI |
InChI=1S/C23H27NO5/c1-27-20-12-16(7-8-19(20)25)23(26)24-10-9-15-11-21(28-2)22(13-17(15)14-24)29-18-5-3-4-6-18/h7-8,11-13,18,25H,3-6,9-10,14H2,1-2H3
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| InChIKey |
LIWHTGFBMUUDCZ-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