690331

Source:http://linkedlifedata.com/resource/chembl/compound/690331

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/C23H22FN5O3/c1-14-11-28(13-26-14)19-8-3-15(10-21(19)32-2)9-18-22(31)29(23(25)27-18)20(12-30)16-4-6-17(24)7-5-16/h3-11,13,20,30H,12H2,1-2H3,(H2,25,27)/b18-9-/t20-/m1/s1
chemicalCompound:standardIn...	CZNFTZRVADOGMD-BFHGZXLWSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N=C(N)N([C@H](CO)c3ccc(F)cc3)C2=O)ccc1n4cnc(C)c4
chemicalCompound:molecularF...	C23H22FN5O3
chemicalCompound:moleculeId	690331
chemicalCompound:mwFreebase	435.451
chemicalCompound:alogp	2.211
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	105.97
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.977
chemicalCompound:acdLogD	1.971
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.451
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223880
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790331
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:3413607, activity:3413608