690531

Source:http://linkedlifedata.com/resource/chembl/compound/690531

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/C27H28FN5O2/c1-4-31-13-5-6-23(20-8-10-21(28)11-9-20)33-26(34)22(30-27(31)33)14-19-7-12-24(25(15-19)35-3)32-16-18(2)29-17-32/h7-12,14-17,23H,4-6,13H2,1-3H3/b22-14-
chemicalCompound:standardIn...	HAIWKIJCKCUAPY-HMAPJEAMSA-N
chemicalCompound:canonicalS...	CCN1CCCC(N2C(=O)\C(=C\c3ccc(c(OC)c3)n4cnc(C)c4)\N=C12)c5ccc(F)cc5
chemicalCompound:molecularF...	C27H28FN5O2
chemicalCompound:moleculeId	690531
chemicalCompound:mwFreebase	473.542
chemicalCompound:alogp	3.972
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	62.96
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.048
chemicalCompound:acdLogD	4.043
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	473.542
chemicalCompound:acdMostBpk...	5.509
chemicalCompound:chemblId	CHEMBL1224078
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790531
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:3413625, activity:3413626, activity:3413627, activity:3413628, activity:3413647, activity:3413650, activity:3413652, activity:3413654, activity:3413655