General Information of the Compound
| Compound ID |
CP0338234
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| Compound Name |
2-[(1S)-5-{3-[4-(4-ethoxy-5-methyl-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 |
C27H31NO6S
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| Molecular Weight |
497.613
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| Canonical SMILES |
CCOc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1
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| InChI |
InChI=1S/C27H31NO6S/c1-4-32-26-17(2)35-27(28-26)20-8-11-23(24(15-20)31-3)34-13-5-12-33-21-9-10-22-18(14-21)6-7-19(22)16-25(29)30/h8-11,14-15,19H,4-7,12-13,16H2,1-3H3,(H,29,30)/t19-/m0/s1
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| InChIKey |
UQFZTBWTJZBMDL-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