General Information of the Compound
| Compound ID |
CP0427001
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| Compound Name |
4-(Bis(2-chloroethyl)amino)-N-tert-butylbenzamide
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| Structure |
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| Formula |
C15H22Cl2N2O
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| Molecular Weight |
317.26
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc(cc1)N(CCCl)CCCl
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| InChI |
InChI=1S/C15H22Cl2N2O/c1-15(2,3)18-14(20)12-4-6-13(7-5-12)19(10-8-16)11-9-17/h4-7H,8-11H2,1-3H3,(H,18,20)
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| InChIKey |
ILJUMURTXHBGOA-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