General Information of the Compound
| Compound ID |
CP0208813
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| Compound Name |
2-[[4-[3-[acetyl(benzoyl)amino]-3-oxopropoxy]phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetic acid
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| Structure |
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| Formula |
C29H28N2O9
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| Molecular Weight |
548.548
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| Canonical SMILES |
COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCC(=O)N(C(C)=O)C(=O)c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C29H28N2O9/c1-20(32)31(28(36)22-6-4-3-5-7-22)26(33)16-17-39-24-10-8-21(9-11-24)18-30(19-27(34)35)29(37)40-25-14-12-23(38-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,34,35)
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| InChIKey |
OSAQGXMPWVOCKW-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