General Information of the Compound
| Compound ID |
CP0525973
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| Compound Name |
4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)chroman-7-sulfonamide
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| Structure |
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| Formula |
C26H21F3N4O3S
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| Molecular Weight |
526.54
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| Canonical SMILES |
Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3N4O3S/c1-16-2-3-17(14-31-16)23-12-18(26(27,28)29)4-6-20(23)21-9-11-36-24-13-19(5-7-22(21)24)37(34,35)33-25-8-10-30-15-32-25/h2-8,10,12-15,21H,9,11H2,1H3,(H,30,32,33)/t21-/m1/s1
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| InChIKey |
OVCBYEXPONMHTH-OAQYLSRUSA-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