General Information of the Compound
| Compound ID |
CP0256972
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| Compound Name |
2-[(1S)-5-{3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C26H29NO5S
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| Molecular Weight |
467.587
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| Canonical SMILES |
COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(C)s1
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| InChI |
InChI=1S/C26H29NO5S/c1-16-17(2)33-26(27-16)20-7-10-23(24(14-20)30-3)32-12-4-11-31-21-8-9-22-18(13-21)5-6-19(22)15-25(28)29/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,28,29)/t19-/m0/s1
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| InChIKey |
ZBFIQWUEGZKBFS-IBGZPJMESA-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