General Information of the Compound
| Compound ID |
CP0256971
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| Compound Name |
2-[(1S)-5-{3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C26H27NO5S
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| Molecular Weight |
465.571
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| Canonical SMILES |
CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1
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| InChI |
InChI=1S/C26H27NO5S/c1-16-25(17(2)28)33-26(27-16)18-6-8-21(9-7-18)31-12-3-13-32-22-10-11-23-19(14-22)4-5-20(23)15-24(29)30/h6-11,14,20H,3-5,12-13,15H2,1-2H3,(H,29,30)/t20-/m0/s1
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| InChIKey |
DEVPNPBNEIOOMX-FQEVSTJZSA-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