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FJH

Summary
Name:~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide
Formula:C27 H23 N3 O4
Formal charge:0
Formula weight:453.489 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyInChI1.03RZQWMJAOUJLEAM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2cc(ccc2n1)C(=O)Nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3C
SMILESCACTVS3.385Cc1ccc2cc(ccc2n1)C(=O)Nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3C
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5

218853

PDB entries from 2024-04-24

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