General Information of the Compound
| Compound ID |
CP0441054
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| Compound Name |
3-(4-(2-(benzo[d]thiazol-2-yl(thiophen-2-ylmethyl)amino)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C23H22N2O3S2
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| Molecular Weight |
438.574
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| Canonical SMILES |
OC(=O)CCc1ccc(OCCN(Cc2cccs2)c2nc3ccccc3s2)cc1
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| InChI |
InChI=1S/C23H22N2O3S2/c26-22(27)12-9-17-7-10-18(11-8-17)28-14-13-25(16-19-4-3-15-29-19)23-24-20-5-1-2-6-21(20)30-23/h1-8,10-11,15H,9,12-14,16H2,(H,26,27)
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| InChIKey |
QNDSUWDNCAOVNF-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