General Information of the Compound
| Compound ID |
CP0398492
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| Compound Name |
4-[benzyl-[(4-phenoxyphenyl)methyl]amino]benzoic acid
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| Structure |
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| Formula |
C27H23NO3
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| Molecular Weight |
409.485
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H23NO3/c29-27(30)23-13-15-24(16-14-23)28(19-21-7-3-1-4-8-21)20-22-11-17-26(18-12-22)31-25-9-5-2-6-10-25/h1-18H,19-20H2,(H,29,30)
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| InChIKey |
AKSPIFIPBJLDQC-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