329774

Source:http://linkedlifedata.com/resource/chembl/compound/329774

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/C24H22N4O5/c29-17-12-33-24(21(17)30)28-11-16(14-4-2-1-3-5-14)20-22(25-13-26-23(20)28)27-15-6-7-18-19(10-15)32-9-8-31-18/h1-7,10-11,13,17,21,24,29-30H,8-9,12H2,(H,25,26,27)/t17-,21-,24-/m1/s1
chemicalCompound:standardIn...	DOZXAOAJOARXES-NYQDVAGCSA-N
chemicalCompound:canonicalS...	O[C@@H]1CO[C@H]([C@@H]1O)n2cc(c3ccccc3)c4c(Nc5ccc6OCCOc6c5)ncnc24
chemicalCompound:molecularF...	C24 H22 N4 O5
chemicalCompound:moleculeId	329774
chemicalCompound:mwFreebase	446.455
chemicalCompound:alogp	3.009
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	110.89
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.575
chemicalCompound:acdLogP	5.185
chemicalCompound:acdLogD	5.181
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	446.455
chemicalCompound:acdMostBpk...	5.427
chemicalCompound:chemblId	CHEMBL364049
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:429774
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:1612850, activity:1612851, activity:1612852