General Information of the Compound
| Compound ID |
CP0453907
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| Compound Name |
3-(4-(2-(benzo[d]thiazol-2-yl(benzyl)amino)ethoxy)-2-ethylphenyl)propanoic acid
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| Structure |
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| Formula |
C27H28N2O3S
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| Molecular Weight |
460.599
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| Canonical SMILES |
CCc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C27H28N2O3S/c1-2-21-18-23(14-12-22(21)13-15-26(30)31)32-17-16-29(19-20-8-4-3-5-9-20)27-28-24-10-6-7-11-25(24)33-27/h3-12,14,18H,2,13,15-17,19H2,1H3,(H,30,31)
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| InChIKey |
DZGGIZKLDYAZKG-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