General Information of the Compound
| Compound ID |
CP0438014
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| Compound Name |
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C20H20N6O
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| Molecular Weight |
360.421
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| Canonical SMILES |
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C20H20N6O/c1-14(27)23-17-7-4-8-18(11-17)24-19-21-13-22-20(25-19)26-10-9-15-5-2-3-6-16(15)12-26/h2-8,11,13H,9-10,12H2,1H3,(H,23,27)(H,21,22,24,25)
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| InChIKey |
ZNZCGEXKQOUCKF-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha