P08

PIK-108

Created:2011-10-24
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count54
Aromatic Bond Count12
2D diagram of P08

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Chemical Component Summary

NamePIK-108
Systematic Name (OpenEye OEToolkits)6-methyl-2-morpholin-4-yl-8-[(1S)-1-phenylazanylethyl]chromen-4-one
FormulaC22 H24 N2 O3
Molecular Weight364.438
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4
SMILESCACTVS3.385C[CH](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)N4CCOCC4
SMILESOpenEye OEToolkits1.9.2Cc1cc2c(c(c1)C(C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4
Canonical SMILESCACTVS3.385 C[C@H](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)N4CCOCC4
Canonical SMILESOpenEye OEToolkits1.9.2 Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 VRCXIJAYLCUSHC-INIZCTEOSA-N

Related Resource References

Resource NameReference
PubChem 54751698