General Information of the Compound
| Compound ID |
CP0377577
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| Compound Name |
N-[(3S)-5-[6-(1-hydroxyethyl)pyridin-3-yl]-3,4-dihydro-2H-chromen-3-yl]-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H26F3N3O5
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| Molecular Weight |
517.504
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| Canonical SMILES |
CC(O)c1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1
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| InChI |
InChI=1S/C26H26F3N3O5/c1-16(33)22-7-5-17(12-30-22)20-3-2-4-23-21(20)11-19(14-37-23)32-25(34)18-6-8-24(31-13-18)36-10-9-35-15-26(27,28)29/h2-8,12-13,16,19,33H,9-11,14-15H2,1H3,(H,32,34)/t16?,19-/m0/s1
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| InChIKey |
MTISEOQZAIKNFX-CVMIBEPCSA-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