General Information of the Compound
| Compound ID |
CP0383088
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| Compound Name |
N-[N'-(2-benzylsulfanylethyl)carbamimidoyl]-4-methylbenzamide
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| Structure |
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| Formula |
C18H21N3OS
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| Molecular Weight |
327.453
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)NC(N)=NCCSCc1ccccc1
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| InChI |
InChI=1S/C18H21N3OS/c1-14-7-9-16(10-8-14)17(22)21-18(19)20-11-12-23-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H3,19,20,21,22)
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| InChIKey |
RPAFOXJHTMXQJS-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