690215

Source:http://linkedlifedata.com/resource/chembl/compound/690215

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/C27H30FN5O2/c1-5-6-13-29-27-31-23(26(34)33(27)19(3)21-8-10-22(28)11-9-21)14-20-7-12-24(25(15-20)35-4)32-16-18(2)30-17-32/h7-12,14-17,19H,5-6,13H2,1-4H3,(H,29,31)/b23-14-/t19-/m1/s1
chemicalCompound:standardIn...	NPOTZKGVJBZEPV-JVMBGAFUSA-N
chemicalCompound:canonicalS...	CCCCNC1=N\C(=C/c2ccc(c(OC)c2)n3cnc(C)c3)\C(=O)N1[C@H](C)c4ccc(F)cc4
chemicalCompound:molecularF...	C27H30FN5O2
chemicalCompound:moleculeId	690215
chemicalCompound:mwFreebase	475.558
chemicalCompound:alogp	4.634
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.75
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.791
chemicalCompound:acdLogD	4.786
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	475.558
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223765
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790215
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:3413595, activity:3413596