General Information of the Compound
| Compound ID |
CP0382600
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| Compound Name |
3-bromo-6-pentadecylthieno[3,2-b]thiophene-5-carboxylic acid
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| Structure |
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| Formula |
C22H33BrO2S2
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| Molecular Weight |
473.542
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| Canonical SMILES |
CCCCCCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
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| InChI |
InChI=1S/C22H33BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-19-21(18(23)16-26-19)27-20(17)22(24)25/h16H,2-15H2,1H3,(H,24,25)
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| InChIKey |
PLDJYCSOMAHJQA-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