General Information of the Compound
| Compound ID |
CP0483666
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| Compound Name |
2-[(1S)-5-{3-[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 |
C24H25NO5S
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| Molecular Weight |
439.533
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| Canonical SMILES |
COc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1
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| InChI |
InChI=1S/C24H25NO5S/c1-28-22-15-31-24(25-22)16-5-7-19(8-6-16)29-11-2-12-30-20-9-10-21-17(13-20)3-4-18(21)14-23(26)27/h5-10,13,15,18H,2-4,11-12,14H2,1H3,(H,26,27)/t18-/m0/s1
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| InChIKey |
HBKNDUAKMHVGNM-SFHVURJKSA-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