General Information of the Compound
| Compound ID |
CP0323412
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| Compound Name |
2-[(1S)-5-{3-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C28H27NO5S
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| Molecular Weight |
489.593
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| Canonical SMILES |
COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C28H27NO5S/c1-32-25-16-20(28-29-23-5-2-3-6-26(23)35-28)9-12-24(25)34-14-4-13-33-21-10-11-22-18(15-21)7-8-19(22)17-27(30)31/h2-3,5-6,9-12,15-16,19H,4,7-8,13-14,17H2,1H3,(H,30,31)/t19-/m0/s1
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| InChIKey |
UBZORZBZKNRJFC-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