711570

Source:http://linkedlifedata.com/resource/chembl/compound/711570

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/C27H25N5O3S/c1-18-12-19(2)14-22(13-18)32(21-6-4-9-28-15-21)25(33)17-36-27-30-29-26(24-8-11-34-20(24)3)31(27)16-23-7-5-10-35-23/h4-15H,16-17H2,1-3H3
chemicalCompound:standardIn...	UYDUIXFWXXXVNM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(c1)N(C(=O)CSc2nnc(c3ccoc3C)n2Cc4occc4)c5cccnc5
chemicalCompound:molecularF...	C27H25N5O3S
chemicalCompound:moleculeId	711570
chemicalCompound:mwFreebase	499.584
chemicalCompound:alogp	4.663
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	115.49
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.002
chemicalCompound:acdLogD	5.002
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	499.584
chemicalCompound:acdMostBpk...	4.214
chemicalCompound:chemblId	CHEMBL1272309
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:811570
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:3531444, activity:3531503