General Information of the Compound
| Compound ID |
CP0455076
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| Compound Name |
3-(3-(benzyloxy)benzylamino)benzoic acid
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| Structure |
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| Formula |
C21H19NO3
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| Molecular Weight |
333.387
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| Canonical SMILES |
OC(=O)c1cccc(NCc2cccc(OCc3ccccc3)c2)c1
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| InChI |
InChI=1S/C21H19NO3/c23-21(24)18-9-5-10-19(13-18)22-14-17-8-4-11-20(12-17)25-15-16-6-2-1-3-7-16/h1-13,22H,14-15H2,(H,23,24)
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| InChIKey |
YXMDNMAQKNEANV-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