243853

Source:http://linkedlifedata.com/resource/chembl/compound/243853

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/C22H25N3OS/c1-26-20-10-9-17(22-24-12-13-27-22)14-18(20)15-25-19-8-5-11-23-21(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,19,21,23,25H,5,8,11,15H2,1H3/t19-,21-/m0/s1
chemicalCompound:standardIn...	IEOZIHFWECPTLH-FPOVZHCZSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1CN[C@H]2CCCN[C@H]2c3ccccc3)c4nccs4
chemicalCompound:molecularF...	C22 H25 N3 O S
chemicalCompound:moleculeId	243853
chemicalCompound:mwFreebase	379.518
chemicalCompound:alogp	3.436
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.42
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.11
chemicalCompound:acdLogD	2.036
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	379.518
chemicalCompound:acdMostBpk...	9.144
chemicalCompound:chemblId	CHEMBL147619
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343853
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:746623, activity:746624, activity:746625, activity:746626