General Information of the Compound
| Compound ID |
CP0464284
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| Compound Name |
3-{2'-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-biphenyl-4-ylmethylsulfanyl}-propionic acid
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| Structure |
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| Formula |
C25H24ClNO4S
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| Molecular Weight |
469.99
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| Canonical SMILES |
CC(OC(=O)Nc1ccccc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
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| InChI |
InChI=1S/C25H24ClNO4S/c1-17(20-6-2-4-8-22(20)26)31-25(30)27-23-9-5-3-7-21(23)19-12-10-18(11-13-19)16-32-15-14-24(28)29/h2-13,17H,14-16H2,1H3,(H,27,30)(H,28,29)
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| InChIKey |
AVXXLUPPYOJIOV-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