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A1E2G

Summary
Name:4-fluoranyl-~{N}-[3-(1-methylpiperidin-4-yl)-1~{H}-indol-5-yl]benzamide
Formula:C21 H22 F N3 O
Formal charge:0
Formula weight:351.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-fluoranyl-~{N}-[3-(1-methylpiperidin-4-yl)-1~{H}-indol-5-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
InChIKeyInChI1.06MDMJLMDBRQXOOI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCC(CC1)c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23
SMILESCACTVS3.385CN1CCC(CC1)c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1CCC(CC1)c2c[nH]c3c2cc(cc3)NC(=O)c4ccc(cc4)F
SMILESOpenEye OEToolkits2.0.7CN1CCC(CC1)c2c[nH]c3c2cc(cc3)NC(=O)c4ccc(cc4)F

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PDB entries from 2026-04-08

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