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PYN

Summary
Name:3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE
Formula:C27 H33 N5 O2
Formal charge:0
Formula weight:459.583 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N'-acridine-3,6-diylbis(3-pyrrolidin-1-ylpropanamide)
OpenEye OEToolkits1.5.03-pyrrolidin-1-yl-N-[6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc4cc3nc2cc(NC(=O)CCN1CCCC1)ccc2cc3cc4)CCN5CCCC5
SMILES_CANONICALCACTVS3.341O=C(CCN1CCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC5)cc4nc3c2
SMILESCACTVS3.341O=C(CCN1CCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC5)cc4nc3c2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5
SMILESOpenEye OEToolkits1.5.0c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5
InChIInChI1.03InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)
InChIKeyInChI1.03WQSTTZVZUNIDBE-UHFFFAOYSA-N

223790

數據於2024-08-14公開中

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