1175832

Source:http://linkedlifedata.com/resource/chembl/compound/1175832

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/C30H38N6O6S/c1-39-25-8-6-21(26(40-2)27(25)41-3)18-36-13-11-35(12-14-36)10-4-15-42-24-7-5-20(28(37)34-30(31)32)17-23(24)33-29(38)22-9-16-43-19-22/h5-9,16-17,19H,4,10-15,18H2,1-3H3,(H,33,38)(H4,31,32,34,37)
chemicalCompound:standardIn...	NKTJGQXYSDJXJE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c4ccsc4)C(=O)NC(=N)N)CC2)c(OC)c1OC
chemicalCompound:molecularF...	C30H38N6O6S
chemicalCompound:moleculeId	1175832
chemicalCompound:mwFreebase	610.724
chemicalCompound:alogp	2.789
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	179.71
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.496
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.601
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	610.724
chemicalCompound:acdMostBpk...	7.254
chemicalCompound:chemblId	CHEMBL1829139
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1275832
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:6365171