General Information of the Compound
| Compound ID |
CP0391416
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| Compound Name |
3,4,5-trimethoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(N)=NCCCCc1ccccc1
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| InChI |
InChI=1S/C21H27N3O4/c1-26-17-13-16(14-18(27-2)19(17)28-3)20(25)24-21(22)23-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H3,22,23,24,25)
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| InChIKey |
HIIDJDRWZXTWHJ-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