General Information of the Compound
| Compound ID |
CP0538706
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| Compound Name |
3-[4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole-2-carbonyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C22H21N3O4S
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| Molecular Weight |
423.494
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| Canonical SMILES |
OC(=O)CCc1ccc(NC(=O)c2nnc(COc3ccc4CCCc4c3)s2)cc1
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| InChI |
InChI=1S/C22H21N3O4S/c26-20(27)11-6-14-4-8-17(9-5-14)23-21(28)22-25-24-19(30-22)13-29-18-10-7-15-2-1-3-16(15)12-18/h4-5,7-10,12H,1-3,6,11,13H2,(H,23,28)(H,26,27)
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| InChIKey |
WDABPWIOAQKGNE-UHFFFAOYSA-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