General Information of the Compound
| Compound ID |
CP0436279
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| Compound Name |
2-(2-methoxyethyl)-5-methyl-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 |
C21H23N5O3
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| Molecular Weight |
393.447
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| Canonical SMILES |
COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1
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| InChI |
InChI=1S/C21H23N5O3/c1-14-20(25-26(24-14)9-10-28-2)21(27)23-16-11-18-17(15-5-4-8-22-12-15)6-3-7-19(18)29-13-16/h3-8,12,16H,9-11,13H2,1-2H3,(H,23,27)/t16-/m0/s1
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| InChIKey |
OWCJHLUHPFYWOT-INIZCTEOSA-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