General Information of the Compound
| Compound ID |
CP0506022
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| Compound Name |
(+/-)-3-(4-chlorophenyl)-2-(2-ethyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamido)propanoic acid
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| Structure |
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| Formula |
C26H30ClNO5
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| Molecular Weight |
471.981
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| Canonical SMILES |
CCc1ccccc1C(=O)N(C(Cc1ccc(Cl)cc1)C(O)=O)C1CCC2(CC1)OCCO2
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| InChI |
InChI=1S/C26H30ClNO5/c1-2-19-5-3-4-6-22(19)24(29)28(21-11-13-26(14-12-21)32-15-16-33-26)23(25(30)31)17-18-7-9-20(27)10-8-18/h3-10,21,23H,2,11-17H2,1H3,(H,30,31)
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| InChIKey |
UFMKJQSKQYPPGV-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