General Information of the Compound
| Compound ID |
CP0144052
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| Compound Name |
2-[(1S)-5-{3-[2-methoxy-4-(4-methoxy-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 |
C25H27NO6S
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| Molecular Weight |
469.559
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| Canonical SMILES |
COc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1
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| InChI |
InChI=1S/C25H27NO6S/c1-29-22-13-18(25-26-23(30-2)15-33-25)6-9-21(22)32-11-3-10-31-19-7-8-20-16(12-19)4-5-17(20)14-24(27)28/h6-9,12-13,15,17H,3-5,10-11,14H2,1-2H3,(H,27,28)/t17-/m0/s1
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| InChIKey |
YUWKOSPDHRFEEF-KRWDZBQOSA-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