169981

Source:http://linkedlifedata.com/resource/chembl/compound/169981

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/C34H41N5O4/c1-3-36-13-14-38-23-27(25-9-5-7-11-29(25)38)31-32(34(41)35-33(31)40)28-24-39(30-12-8-6-10-26(28)30)18-22-43-21-17-37(4-2)16-20-42-19-15-36/h5-12,23-24H,3-4,13-22H2,1-2H3,(H,35,40,41)
chemicalCompound:standardIn...	QTVNFRLKAGKBPS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CCOCCN(CC)CCn2cc(C3=C(C(=O)NC3=O)c4cn(CCOCC1)c5ccccc45)c6ccccc26
chemicalCompound:molecularF...	C34 H41 N5 O4
chemicalCompound:moleculeId	169981
chemicalCompound:mwFreebase	583.72
chemicalCompound:alogp	4.093
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	80.97
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.274
chemicalCompound:acdLogP	7.02
chemicalCompound:acdLogD	5.261
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	583.72
chemicalCompound:acdMostBpk...	8.477
chemicalCompound:chemblId	CHEMBL103421
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269981
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:771137, activity:771138, activity:771139, activity:771140, activity:771141, activity:771142, activity:771143, activity:771144