General Information of the Compound
| Compound ID |
CP0506417
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| Compound Name |
N-[(3S)-5-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C22H17F3N2O3
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| Molecular Weight |
414.383
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1cccnc1
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| InChI |
InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-8-6-14(7-9-17)21(28)27-16-11-19-18(15-3-2-10-26-12-15)4-1-5-20(19)29-13-16/h1-10,12,16H,11,13H2,(H,27,28)/t16-/m0/s1
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| InChIKey |
YAXBXTNYPVATMS-INIZCTEOSA-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