871791

Source:http://linkedlifedata.com/resource/chembl/compound/871791

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/C22H25N5O3S/c1-29-19-9-7-18(8-10-19)26-11-13-27(14-12-26)21(28)16-31-22-25-24-20(30-22)15-23-17-5-3-2-4-6-17/h2-10,23H,11-16H2,1H3
chemicalCompound:standardIn...	UHYWCOXVNBDBGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2CCN(CC2)C(=O)CSc3oc(CNc4ccccc4)nn3
chemicalCompound:molecularF...	C22H25N5O3S
chemicalCompound:moleculeId	871791
chemicalCompound:mwFreebase	439.531
chemicalCompound:alogp	2.751
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	109.02
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.67
chemicalCompound:acdLogD	1.67
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	439.531
chemicalCompound:acdMostBpk...	3.428
chemicalCompound:chemblId	CHEMBL1447907
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:971791
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:3874139, activity:4010230, activity:4757546, activity:5415757, activity:5542858, activity:5681242, activity:5879159, activity:5971100, activity:6570267, activity:7150735