General Information of the Compound
| Compound ID |
CP0383875
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| Compound Name |
4-(Bis(2-chloroethyl)amino)-N-p-tolylbenzamide
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| Synonyms |
4-(Bis(2-chloroethyl)amino)-N-p-tolylbenzamide
CHEMBL601040
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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 |
Cc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1
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| InChI |
InChI=1S/C18H20Cl2N2O/c1-14-2-6-16(7-3-14)21-18(23)15-4-8-17(9-5-15)22(12-10-19)13-11-20/h2-9H,10-13H2,1H3,(H,21,23)
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| InChIKey |
YUHSPIYJWBBMHU-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
Clinical Information about the Compound