General Information of the Compound
| Compound ID |
CP0430912
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| Compound Name |
N-[N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]-4-methylbenzamide
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
COc1ccc2[nH]cc(CCN=C(N)NC(=O)c3ccc(C)cc3)c2c1
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| InChI |
InChI=1S/C20H22N4O2/c1-13-3-5-14(6-4-13)19(25)24-20(21)22-10-9-15-12-23-18-8-7-16(26-2)11-17(15)18/h3-8,11-12,23H,9-10H2,1-2H3,(H3,21,22,24,25)
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| InChIKey |
MWVDXILYDYYTKX-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