General Information of the Compound
| Compound ID |
CP0498689
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| Compound Name |
4-(Bis(2-chloroethyl)amino)-N,N-dibutylbenzamide
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| Structure |
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| Formula |
C19H30Cl2N2O
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| Molecular Weight |
373.368
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| Canonical SMILES |
CCCCN(CCCC)C(=O)c1ccc(cc1)N(CCCl)CCCl
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| InChI |
InChI=1S/C19H30Cl2N2O/c1-3-5-13-23(14-6-4-2)19(24)17-7-9-18(10-8-17)22(15-11-20)16-12-21/h7-10H,3-6,11-16H2,1-2H3
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| InChIKey |
HJTDMSVRZXFXDK-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