General Information of the Compound
| Compound ID |
CP0367146
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| Compound Name |
2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy}propoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C25H25NO6S
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| Molecular Weight |
467.543
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| Canonical SMILES |
Cc1nc(sc1C(O)=O)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1
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| InChI |
InChI=1S/C25H25NO6S/c1-15-23(25(29)30)33-24(26-15)16-5-7-19(8-6-16)31-11-2-12-32-20-9-10-21-17(13-20)3-4-18(21)14-22(27)28/h5-10,13,18H,2-4,11-12,14H2,1H3,(H,27,28)(H,29,30)/t18-/m0/s1
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| InChIKey |
RLDHAABFWXUBDC-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