General Information of the Compound
| Compound ID |
CP0549531
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| Compound Name |
N-[(4-amino-2-chlorophenyl)methyl]-4-tert-butylbenzamide
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| Structure |
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| Formula |
C18H21ClN2O
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| Molecular Weight |
316.832
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(N)cc1Cl
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| InChI |
InChI=1S/C18H21ClN2O/c1-18(2,3)14-7-4-12(5-8-14)17(22)21-11-13-6-9-15(20)10-16(13)19/h4-10H,11,20H2,1-3H3,(H,21,22)
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| InChIKey |
DCJCGOACDUCMOP-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