General Information of the Compound
| Compound ID |
CP0286722
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| Compound Name |
2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy}propoxy)-3-propylphenyl]-4-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C28H31NO7S
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| Molecular Weight |
525.623
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O
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| InChI |
InChI=1S/C28H31NO7S/c1-2-4-19-13-20(27-29-23(16-30)26(37-27)28(33)34)7-10-24(19)36-12-3-11-35-21-8-9-22-17(14-21)5-6-18(22)15-25(31)32/h7-10,13-14,18,30H,2-6,11-12,15-16H2,1H3,(H,31,32)(H,33,34)/t18-/m0/s1
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| InChIKey |
DZROKMVTHSSOLL-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