General Information of the Compound
| Compound ID |
CP0492789
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| Compound Name |
4-(Bis(2-chloroethyl)amino)-N-(3-morpholinopropyl)benzamide
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| Structure |
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| Formula |
C18H27Cl2N3O2
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| Molecular Weight |
388.339
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| Canonical SMILES |
ClCCN(CCCl)c1ccc(cc1)C(=O)NCCCN1CCOCC1
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| InChI |
InChI=1S/C18H27Cl2N3O2/c19-6-10-23(11-7-20)17-4-2-16(3-5-17)18(24)21-8-1-9-22-12-14-25-15-13-22/h2-5H,1,6-15H2,(H,21,24)
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| InChIKey |
ZINSNBBECNZPOC-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