General Information of the Compound
| Compound ID |
CP0453906
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| Compound Name |
3-(4-(2-(benzyl(6-methylbenzo[d]thiazol-2-yl)amino)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C26H26N2O3S
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| Molecular Weight |
446.572
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| Canonical SMILES |
Cc1ccc2nc(sc2c1)N(CCOc1ccc(CCC(O)=O)cc1)Cc1ccccc1
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| InChI |
InChI=1S/C26H26N2O3S/c1-19-7-13-23-24(17-19)32-26(27-23)28(18-21-5-3-2-4-6-21)15-16-31-22-11-8-20(9-12-22)10-14-25(29)30/h2-9,11-13,17H,10,14-16,18H2,1H3,(H,29,30)
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| InChIKey |
XYENRPCQJVVAGO-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