751138

Source:http://linkedlifedata.com/resource/chembl/compound/751138

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/C19H18BrN3O2/c20-15-5-4-6-16(12-15)22-19(24)14(13-21)11-17-7-8-18(25-17)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,22,24)/b14-11+
chemicalCompound:standardIn...	QUJQLUTXEQLFFW-SDNWHVSQSA-N
chemicalCompound:canonicalS...	Brc1cccc(NC(=O)\C(=C\c2oc(cc2)N3CCCCC3)\C#N)c1
chemicalCompound:molecularF...	C19H18BrN3O2
chemicalCompound:moleculeId	751138
chemicalCompound:mwFreebase	400.269
chemicalCompound:alogp	4.269
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.27
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.331
chemicalCompound:acdLogP	3.413
chemicalCompound:acdLogD	3.413
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	400.269
chemicalCompound:acdMostBpk...	2.639
chemicalCompound:chemblId	CHEMBL1327254
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:851138
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:3619807, activity:3667653, activity:3751573, activity:3842910, activity:3851655, activity:3991962, activity:4065533, activity:4192184, activity:4262552, activity:4303427, activity:4315665, activity:4571590, activity:4582873, activity:4737172, activity:4927986, activity:4975757, activity:5438115, activity:5503993, activity:5552105, activity:5669330, activity:5724655, activity:5901419, activity:5963754, activity:6435456, activity:6459653, activity:6525233, activity:6770456, activity:6838883, activity:6925189, activity:7008340, activity:7119044, activity:7205258, activity:7285806, activity:7329258, activity:7390674, activity:7469791