General Information of the Compound
| Compound ID |
CP0878777
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| Compound Name |
5-(4-Octyl-phenyl)-thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C19H24O2S
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| Molecular Weight |
316.466
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| Canonical SMILES |
CCCCCCCCc1ccc(-c2ccc(C(=O)O)s2)cc1
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| InChI |
InChI=1S/C19H24O2S/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17-13-14-18(22-17)19(20)21/h9-14H,2-8H2,1H3,(H,20,21)
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| InChIKey |
QVBBOYJFBDQZLT-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