General Information of the Compound
| Compound ID |
CP0328164
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| Compound Name |
3-(6-((1R,2R)-2-(butyl(methyl)amino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
CCCCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
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| InChI |
InChI=1S/C26H35N3O3/c1-6-7-13-28(5)19(2)24(29-14-12-27-18-29)22-9-8-21-16-23(11-10-20(21)15-22)32-17-26(3,4)25(30)31/h8-12,14-16,18-19,24H,6-7,13,17H2,1-5H3,(H,30,31)/t19-,24+/m1/s1
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| InChIKey |
JHXQEUXIBMCBIF-DVECYGJZSA-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