General Information of the Compound
| Compound ID |
CP0367143
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| Compound Name |
2-[(1S)-5-{3-[2-methoxy-4-(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 |
C24H25NO5S
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| Molecular Weight |
439.533
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| Canonical SMILES |
COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1
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| InChI |
InChI=1S/C24H25NO5S/c1-28-22-14-18(24-25-9-12-31-24)5-8-21(22)30-11-2-10-29-19-6-7-20-16(13-19)3-4-17(20)15-23(26)27/h5-9,12-14,17H,2-4,10-11,15H2,1H3,(H,26,27)/t17-/m0/s1
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| InChIKey |
YKDMIPMJDYHYSQ-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