General Information of the Compound
| Compound ID |
CP0513739
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| Compound Name |
3-(4-(3-(benzo[d]thiazol-2-yl(benzyl)amino)propoxy)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 |
OC(=O)CCc1ccc(OCCCN(Cc2ccccc2)c2nc3ccccc3s2)cc1
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| InChI |
InChI=1S/C26H26N2O3S/c29-25(30)16-13-20-11-14-22(15-12-20)31-18-6-17-28(19-21-7-2-1-3-8-21)26-27-23-9-4-5-10-24(23)32-26/h1-5,7-12,14-15H,6,13,16-19H2,(H,29,30)
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| InChIKey |
TZEWVJNBKFHMAP-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