General Information of the Compound
| Compound ID |
CP0394786
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| Compound Name |
3-[4-[(2S)-2-methylbutoxy]phenyl]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C20H24O3
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| Molecular Weight |
312.409
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| Canonical SMILES |
CC[C@H](C)COc1ccc(cc1)C(CC(O)=O)c1ccccc1
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| InChI |
InChI=1S/C20H24O3/c1-3-15(2)14-23-18-11-9-17(10-12-18)19(13-20(21)22)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3,(H,21,22)/t15-,19?/m0/s1
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| InChIKey |
WUSUIPCZTUWOIS-FUKCDUGKSA-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