General Information of the Compound
Compound ID |
CP0543517
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Compound Name |
methyl (2S)-2-(dibenzylamino)-3-(4-nitrophenyl)propanoate
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Structure |
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Formula |
C24H24N2O4
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Molecular Weight |
404.466
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Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)N(Cc1ccccc1)Cc1ccccc1
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InChI |
InChI=1S/C24H24N2O4/c1-30-24(27)23(16-19-12-14-22(15-13-19)26(28)29)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3/t23-/m0/s1
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InChIKey |
RTPQLMKGNUUQCC-QHCPKHFHSA-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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