General Information of the Compound
| Compound ID |
CP0858401
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| Compound Name |
2,2-Dimethyl-5-{4-[(E)-2-thien-3-ylvinyl]phenoxy}pentanoic acid
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| Structure |
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| Formula |
C19H22O3S
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| Molecular Weight |
330.449
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| Canonical SMILES |
CC(C)(CCCOc1ccc(/C=C/c2ccsc2)cc1)C(=O)O
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| InChI |
InChI=1S/C19H22O3S/c1-19(2,18(20)21)11-3-12-22-17-8-6-15(7-9-17)4-5-16-10-13-23-14-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,21)/b5-4+
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| InChIKey |
JWBIWNRKEKVJHI-SNAWJCMRSA-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