General Information of the Compound
| Compound ID |
CP0543691
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| Compound Name |
3-{4-[[(2',6'-Dimethylbiphenyl-3-yl)methyl](methyl)amino]-phenyl}propanoic Acid
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| Structure |
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| Formula |
C25H27NO2
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| Molecular Weight |
373.496
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| Canonical SMILES |
CN(Cc1cccc(c1)-c1c(C)cccc1C)c1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C25H27NO2/c1-18-6-4-7-19(2)25(18)22-9-5-8-21(16-22)17-26(3)23-13-10-20(11-14-23)12-15-24(27)28/h4-11,13-14,16H,12,15,17H2,1-3H3,(H,27,28)
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| InChIKey |
SUKYFRQIUSAPDC-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