General Information of the Compound
| Compound ID |
CP0570874
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| Compound Name |
methyl 4-[[4-[[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]phenoxy]methyl]benzoate
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| Structure |
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| Formula |
C28H28N2O5
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| Molecular Weight |
472.541
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C28H28N2O5/c1-34-28(33)23-11-7-22(8-12-23)19-35-24-13-9-20(10-14-24)17-29-27(32)25-15-16-26(31)30(25)18-21-5-3-2-4-6-21/h2-14,25H,15-19H2,1H3,(H,29,32)/t25-/m0/s1
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| InChIKey |
OZBZAXHDELITMI-VWLOTQADSA-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