General Information of the Compound
| Compound ID |
CP0452262
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| Compound Name |
N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C22H24F3N3O3
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| Molecular Weight |
435.446
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H24F3N3O3/c1-27-9-11-28(12-10-27)19-3-2-4-20-18(19)13-16(14-30-20)26-21(29)15-5-7-17(8-6-15)31-22(23,24)25/h2-8,16H,9-14H2,1H3,(H,26,29)/t16-/m0/s1
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| InChIKey |
FAKWTGCDJRCHLT-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: 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