General Information of the Compound
| Compound ID |
CP0520439
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| Compound Name |
4-(Bis(2-chloroethyl)amino)-N-(4-bromophenyl)benzamide
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| Structure |
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| Formula |
C17H17BrCl2N2O
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| Molecular Weight |
416.146
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| Canonical SMILES |
ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccc(Br)cc1
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| InChI |
InChI=1S/C17H17BrCl2N2O/c18-14-3-5-15(6-4-14)21-17(23)13-1-7-16(8-2-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H,21,23)
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| InChIKey |
BLKHBMPRDHTKGF-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