244122

Source:http://linkedlifedata.com/resource/chembl/compound/244122

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H28N4O/c1-27-14-13-25-23(27)18-10-11-21(28-2)19(15-18)16-26-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,20,22,24,26H,6,9,12,16H2,1-2H3/t20-,22-/m0/s1
chemicalCompound:standardIn...	PTHKZKTYSDDBIQ-UNMCSNQZSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1CN[C@H]2CCCN[C@H]2c3ccccc3)c4nccn4C
chemicalCompound:molecularF...	C23 H28 N4 O
chemicalCompound:moleculeId	244122
chemicalCompound:mwFreebase	376.495
chemicalCompound:alogp	3.074
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	51.11
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.812
chemicalCompound:acdLogD	0.651
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	376.495
chemicalCompound:acdMostBpk...	9.149
chemicalCompound:chemblId	CHEMBL146210
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:344122
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:751675, activity:751676, activity:751677, activity:751678