64548

Source:http://linkedlifedata.com/resource/chembl/compound/64548

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/C26H30ClN5O4/c1-3-28-24(34)17-36-22-10-9-21(27)13-20(22)15-30-23(33)16-32-18(2)14-31-25(26(32)35)29-12-11-19-7-5-4-6-8-19/h4-10,13-14H,3,11-12,15-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,33)
chemicalCompound:standardIn...	VQXMYKHZVHNFTJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNC(=O)COc1ccc(Cl)cc1CNC(=O)CN2C(=CN=C(NCCc3ccccc3)C2=O)C
chemicalCompound:molecularF...	C26 H30 Cl N5 O4
chemicalCompound:moleculeId	64548
chemicalCompound:mwFreebase	512
chemicalCompound:alogp	1.533
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	112.13
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.725
chemicalCompound:acdLogP	2.497
chemicalCompound:acdLogD	2.497
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	512
chemicalCompound:acdMostBpk...	2.506
chemicalCompound:chemblId	CHEMBL431524
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164548
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:418814, activity:418815, activity:418816, activity:418817