General Information of the Compound
| Compound ID |
CP0939709
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| Compound Name |
20-(1-aminotridec-2-yn-1-yl)-4-[(4-butoxyphenyl)thio]biphenyl-3-sulfonate
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| Structure |
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| Formula |
C35H43NaO4S2
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| Molecular Weight |
614.849
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| Canonical SMILES |
CCCCCCCCCCC#CCc1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)[O-])c1.[Na+]
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| InChI |
InChI=1S/C35H44O4S2.Na/c1-3-5-7-8-9-10-11-12-13-14-15-18-29-19-16-17-20-33(29)30-21-26-34(35(28-30)41(36,37)38)40-32-24-22-31(23-25-32)39-27-6-4-2;/h16-17,19-26,28H,3-13,18,27H2,1-2H3,(H,36,37,38);/q;+1/p-1
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| InChIKey |
ANSYAZPQSXBQJU-UHFFFAOYSA-M
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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