General Information of the Compound
| Compound ID |
CP0381027
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| Compound Name |
N-(N'-butylcarbamimidoyl)-4-methylbenzamide
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| Synonyms |
1-Butyl-2-(4-methylbenzoyl)guanidine
BDBM50107019
CHEMBL432963
N-Butyl-N'-(4-methyl-benzoyl)-guanidine
SCHEMBL4629393
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| Structure |
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| Formula |
C13H19N3O
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| Molecular Weight |
233.315
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| Canonical SMILES |
CCCCN=C(N)NC(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C13H19N3O/c1-3-4-9-15-13(14)16-12(17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H3,14,15,16,17)
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| InChIKey |
ALSYKIYWLYFZIK-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: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Clinical Information about the Compound