General Information of the Compound
| Compound ID |
CP0519344
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| Compound Name |
4-[3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]propanoylamino]benzoic acid
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| Structure |
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| Formula |
C23H19Cl2FN2O3
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| Molecular Weight |
461.32
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| Canonical SMILES |
OC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C23H19Cl2FN2O3/c24-20-10-9-19(13-21(20)25)28(14-15-1-5-17(26)6-2-15)12-11-22(29)27-18-7-3-16(4-8-18)23(30)31/h1-10,13H,11-12,14H2,(H,27,29)(H,30,31)
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| InChIKey |
LKBCQGPMQPWOCK-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