General Information of the Compound
| Compound ID |
CP0295352
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| Compound Name |
2-((2-chlorobenzyl)(3-chloro-4-cyanophenyl)amino)-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C19H19Cl2N3O
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| Molecular Weight |
376.287
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| Canonical SMILES |
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)C(=O)N(C)C
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| InChI |
InChI=1S/C19H19Cl2N3O/c1-13(19(25)23(2)3)24(12-15-6-4-5-7-17(15)20)16-9-8-14(11-22)18(21)10-16/h4-10,13H,12H2,1-3H3
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| InChIKey |
VESPGKBHEWMFHD-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