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P08

Summary
Name:PIK-108
Formula:C22 H24 N2 O3
Formal charge:0
Formula weight:364.438 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-methyl-2-(morpholin-4-yl)-8-[(1S)-1-(phenylamino)ethyl]-4H-chromen-4-one
OpenEye OEToolkits1.9.26-methyl-2-morpholin-4-yl-8-[(1S)-1-phenylazanylethyl]chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4
InChIInChI1.03InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1
InChIKeyInChI1.03VRCXIJAYLCUSHC-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385C[C@H](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)N4CCOCC4
SMILESCACTVS3.385C[CH](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4
SMILESOpenEye OEToolkits1.9.2Cc1cc2c(c(c1)C(C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4

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PDB entries from 2024-09-11

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