General Information of the Compound
| Compound ID |
CP0050846
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| Compound Name |
2-[(1S)-5-{3-[2-propyl-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 |
C26H29NO4S
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| Molecular Weight |
451.588
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1
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| InChI |
InChI=1S/C26H29NO4S/c1-2-4-20-15-21(26-27-11-14-32-26)7-10-24(20)31-13-3-12-30-22-8-9-23-18(16-22)5-6-19(23)17-25(28)29/h7-11,14-16,19H,2-6,12-13,17H2,1H3,(H,28,29)/t19-/m0/s1
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| InChIKey |
VCBBROSSYZDABH-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