General Information of the Compound
| Compound ID |
CP0076201
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| Compound Name |
N-[(3S)-5-[6-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H20F3N3O4
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| Molecular Weight |
459.424
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| Canonical SMILES |
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1
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| InChI |
InChI=1S/C23H20F3N3O4/c24-23(25,26)13-33-21-7-5-15(10-28-21)22(31)29-17-8-19-18(2-1-3-20(19)32-12-17)14-4-6-16(11-30)27-9-14/h1-7,9-10,17,30H,8,11-13H2,(H,29,31)/t17-/m0/s1
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| InChIKey |
DXYBEOOKXLMROC-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: 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