General Information of the Compound
| Compound ID |
CP0485322
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| Compound Name |
3-(4-(2-(benzyl(6-chlorobenzo[d]thiazol-2-yl)amino)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C25H23ClN2O3S
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| Molecular Weight |
466.99
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| Canonical SMILES |
OC(=O)CCc1ccc(OCCN(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)cc1
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| InChI |
InChI=1S/C25H23ClN2O3S/c26-20-9-12-22-23(16-20)32-25(27-22)28(17-19-4-2-1-3-5-19)14-15-31-21-10-6-18(7-11-21)8-13-24(29)30/h1-7,9-12,16H,8,13-15,17H2,(H,29,30)
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| InChIKey |
PJKMLIBDKWPXDF-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