General Information of the Compound
| Compound ID |
CP0930056
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| Compound Name |
3-(4-((5-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)furan-2-yl)methoxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C27H25NO5
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| Molecular Weight |
443.499
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1
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| InChI |
InChI=1S/C27H25NO5/c1-2-5-21(16-26(29)30)20-8-10-23(11-9-20)32-18-24-12-13-25(33-24)27(31)28-15-14-19-6-3-4-7-22(19)17-28/h3-4,6-13,21H,14-18H2,1H3,(H,29,30)
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| InChIKey |
QAORAYAOPODGMD-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