General Information of the Compound
| Compound ID |
CP0120178
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| Compound Name |
2-[(1S)-5-[3-(2-methoxy-4-{5H,6H,7H-pyrano[2,3-d][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 |
C27H29NO6S
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| Molecular Weight |
495.597
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| Canonical SMILES |
COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2OCCCc2s1
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| InChI |
InChI=1S/C27H29NO6S/c1-31-23-15-19(27-28-26-24(35-27)4-2-11-34-26)7-10-22(23)33-13-3-12-32-20-8-9-21-17(14-20)5-6-18(21)16-25(29)30/h7-10,14-15,18H,2-6,11-13,16H2,1H3,(H,29,30)/t18-/m0/s1
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| InChIKey |
NEKYUSPFTJAEJF-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