General Information of the Compound
| Compound ID |
CP0490360
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| Compound Name |
3-(4-(3-((6-chlorobenzo[d]thiazol-2-yl)(thiophen-2-ylmethyl)amino)propoxy)-3-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C25H25ClN2O3S2
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| Molecular Weight |
501.073
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| Canonical SMILES |
Cc1cc(CCC(O)=O)ccc1OCCCN(Cc1cccs1)c1nc2ccc(Cl)cc2s1
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| InChI |
InChI=1S/C25H25ClN2O3S2/c1-17-14-18(6-10-24(29)30)5-9-22(17)31-12-3-11-28(16-20-4-2-13-32-20)25-27-21-8-7-19(26)15-23(21)33-25/h2,4-5,7-9,13-15H,3,6,10-12,16H2,1H3,(H,29,30)
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| InChIKey |
MFUUVEONIMQFDE-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