General Information of the Compound
| Compound ID |
CP0156647
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| Compound Name |
3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-2-((phenylmethylsulfonamido)methyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C29H30N2O6S
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| Molecular Weight |
534.634
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNS(=O)(=O)Cc2ccccc2)c1)-c1ccccc1
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| InChI |
InChI=1S/C29H30N2O6S/c1-21-27(31-29(37-21)24-10-6-3-7-11-24)16-17-36-26-14-12-23(13-15-28(32)33)25(18-26)19-30-38(34,35)20-22-8-4-2-5-9-22/h2-12,14,18,30H,13,15-17,19-20H2,1H3,(H,32,33)
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| InChIKey |
AFMUUVLVLJLAEP-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