330103

Source:http://linkedlifedata.com/resource/chembl/compound/330103

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H24N4O/c1-16-3-2-9-26(16)10-8-20-12-19-11-17(4-6-21(19)27-20)14-24-22-7-5-18(13-23)15-25-22/h4-7,11-12,15-16H,2-3,8-10,14H2,1H3,(H,24,25)/t16-/m1/s1
chemicalCompound:standardIn...	VHWGUEHVTQVOCK-MRXNPFEDSA-N
chemicalCompound:canonicalS...	C[C@@H]1CCCN1CCc2oc3ccc(CNc4ccc(cn4)C#N)cc3c2
chemicalCompound:molecularF...	C22 H24 N4 O
chemicalCompound:moleculeId	330103
chemicalCompound:mwFreebase	360.452
chemicalCompound:alogp	3.559
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	65.09
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.598
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	360.452
chemicalCompound:acdMostBpk...	10.164
chemicalCompound:chemblId	CHEMBL198625
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:430103
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1613796, activity:1613797