General Information of the Compound
| Compound ID |
CP0452261
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| Compound Name |
5-methyl-2-(2-methylpropyl)-N-[(3S)-5-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]triazole-4-carboxamide
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
CC(C)Cn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1
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| InChI |
InChI=1S/C22H25N5O2/c1-14(2)12-27-25-15(3)21(26-27)22(28)24-17-10-19-18(16-6-5-9-23-11-16)7-4-8-20(19)29-13-17/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,24,28)/t17-/m0/s1
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| InChIKey |
UJPPVXOKSRLWCP-KRWDZBQOSA-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha