155517

Source:http://linkedlifedata.com/resource/chembl/compound/155517

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/C29H30FN5O/c30-24-4-6-25(7-5-24)35-20-27(26-18-22(3-8-28(26)35)23-2-1-11-31-19-23)21-9-13-33(14-10-21)16-17-34-15-12-32-29(34)36/h1-8,11,18-21H,9-10,12-17H2,(H,32,36)
chemicalCompound:standardIn...	GWZCTNJFVWRKTG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)n2cc(C3CCN(CCN4CCNC4=O)CC3)c5cc(ccc25)c6cccnc6
chemicalCompound:molecularF...	C29 H30 F N5 O
chemicalCompound:moleculeId	155517
chemicalCompound:mwFreebase	483.58
chemicalCompound:alogp	4.383
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	53.4
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.773
chemicalCompound:acdLogD	2.519
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	483.58
chemicalCompound:acdMostBpk...	9.027
chemicalCompound:chemblId	CHEMBL94612
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:255517
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:1225320, activity:1225321, activity:1225322, activity:1225323, activity:1225324, activity:1225325