General Information of the Compound
| Compound ID |
CP0078232
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| Compound Name |
4-({[4-(benzyloxy)-3-methoxyphenyl]methyl}amino)benzene-1-carboximidamide
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| Synonyms |
4-(4-Benzyloxy-3-methoxy-benzylamino)-benzamidine
BDBM13580
CHEMBL179938
benzylamine 6
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C22H23N3O2/c1-26-21-13-17(14-25-19-10-8-18(9-11-19)22(23)24)7-12-20(21)27-15-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H3,23,24)
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| InChIKey |
YPLDWUAEABIXKN-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
Clinical Information about the Compound