1023374

Source:http://linkedlifedata.com/resource/chembl/compound/1023374

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/C24H25FN6O4/c1-17-21(24(33)30(27-17)18-6-8-19(9-7-18)31(34)35)16-26-10-11-28-12-14-29(15-13-28)23(32)20-4-2-3-5-22(20)25/h2-9,16,33H,10-15H2,1H3
chemicalCompound:standardIn...	YUSAJDBVBQOUKC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nn(c(O)c1C=NCCN2CCN(CC2)C(=O)c3ccccc3F)c4ccc(cc4)[N+](=O)[O-]
chemicalCompound:molecularF...	C24H25FN6O4
chemicalCompound:moleculeId	1023374
chemicalCompound:mwFreebase	480.491
chemicalCompound:alogp	3.361
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	119.78
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.482
chemicalCompound:acdLogD	1.026
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	480.491
chemicalCompound:acdMostBpk...	11.255
chemicalCompound:chemblId	CHEMBL1599490
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1123374
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:3903079, activity:3955554, activity:3990095, activity:4048038, activity:4154035, activity:4281342, activity:4355184, activity:4407374, activity:4577507, activity:5526879, activity:6548851, activity:6778391, activity:7064199, activity:7450208, activity:7537511, activity:7546440