General Information of the Compound
| Compound ID |
CP0443558
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| Compound Name |
N-[(3S)-5-[6-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-chromen-3-yl]-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H24F3N3O5
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| Molecular Weight |
503.477
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| Canonical SMILES |
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1
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| InChI |
InChI=1S/C25H24F3N3O5/c26-25(27,28)15-34-8-9-35-23-7-5-17(12-30-23)24(33)31-19-10-21-20(2-1-3-22(21)36-14-19)16-4-6-18(13-32)29-11-16/h1-7,11-12,19,32H,8-10,13-15H2,(H,31,33)/t19-/m0/s1
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| InChIKey |
KEOOQQCPBYZSRM-IBGZPJMESA-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