General Information of the Compound
| Compound ID |
CP0437804
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| Compound Name |
5-methyl-2-phenyl-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]triazole-4-carboxamide
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| Structure |
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| Formula |
C24H21N5O2
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| Molecular Weight |
411.465
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| Canonical SMILES |
Cc1nn(nc1C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1)-c1ccccc1
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| InChI |
InChI=1S/C24H21N5O2/c1-16-23(28-29(27-16)19-6-3-2-4-7-19)24(30)26-18-14-21-20(17-10-12-25-13-11-17)8-5-9-22(21)31-15-18/h2-13,18H,14-15H2,1H3,(H,26,30)/t18-/m0/s1
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| InChIKey |
YQIDSLFXPFOWIF-SFHVURJKSA-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