295677

Source:http://linkedlifedata.com/resource/chembl/compound/295677

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/C33H34N4O2S/c38-31(29-12-5-4-11-28(29)25-9-2-1-3-10-25)34-27-15-13-26(14-16-27)32(39)37-21-8-20-36(33-30(37)17-24-40-33)23-22-35-18-6-7-19-35/h1-5,9-17,24H,6-8,18-23H2,(H,34,38)
chemicalCompound:standardIn...	WPUYJTITOZWSHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccc(cc1)C(=O)N2CCCN(CCN3CCCC3)c4sccc24)c5ccccc5c6ccccc6
chemicalCompound:molecularF...	C33 H34 N4 O2 S
chemicalCompound:moleculeId	295677
chemicalCompound:mwFreebase	550.714
chemicalCompound:alogp	5.553
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.13
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.848
chemicalCompound:acdLogP	5.509
chemicalCompound:acdLogD	3.117
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	550.714
chemicalCompound:acdMostBpk...	9.956
chemicalCompound:chemblId	CHEMBL176146
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:395677
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:861177, activity:861178, activity:861179, activity:861180, activity:861181, activity:861182