General Information of the Compound
| Compound ID |
CP0492790
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| Compound Name |
N-benzyl-4-[bis(2-chloroethyl)amino]benzamide
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| Structure |
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| Formula |
C18H20Cl2N2O
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| Molecular Weight |
351.277
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| Canonical SMILES |
ClCCN(CCCl)c1ccc(cc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C18H20Cl2N2O/c19-10-12-22(13-11-20)17-8-6-16(7-9-17)18(23)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,23)
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| InChIKey |
SMUJOARBULKATQ-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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2