966848

Source:http://linkedlifedata.com/resource/chembl/compound/966848

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/C20H26N4OS/c1-13-6-7-14(2)17(12-13)24-15(3)18(16(4)25)19(21-20(24)26)23-10-8-22(5)9-11-23/h6-7,12H,8-11H2,1-5H3
chemicalCompound:standardIn...	LDVYQNAOUYDWSR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)C2=NC(=S)N(C(=C2C(=O)C)C)c3cc(C)ccc3C
chemicalCompound:molecularF...	C20H26N4OS
chemicalCompound:moleculeId	966848
chemicalCompound:mwFreebase	370.512
chemicalCompound:alogp	3.89
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	71.23
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.193
chemicalCompound:acdLogD	2.134
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.512
chemicalCompound:acdMostBpk...	6.768
chemicalCompound:chemblId	CHEMBL1542964
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1066848
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:3617997, activity:3717712, activity:5354175, activity:5588397, activity:5681277