General Information of the Compound
| Compound ID |
CP0487997
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| Compound Name |
methyl 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methylamino]benzoate
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| Structure |
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| Formula |
C22H20ClNO3
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| Molecular Weight |
381.859
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| Canonical SMILES |
COC(=O)c1ccc(NCc2ccc(OC)c(c2)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C22H20ClNO3/c1-26-21-11-6-15(12-20(21)17-4-3-5-18(23)13-17)14-24-19-9-7-16(8-10-19)22(25)27-2/h3-13,24H,14H2,1-2H3
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| InChIKey |
QMXASQAHWQEUDH-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