288150

Source:http://linkedlifedata.com/resource/chembl/compound/288150

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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/C29H33N3O2/c1-2-12-30-29-15-20-19-5-3-4-6-21(19)31-25(20)27-28(29)11-13-32(16-17-7-8-17)23(29)14-18-9-10-22(33)26(34-27)24(18)28/h3-6,9-10,17,23,27,30-31,33H,2,7-8,11-16H2,1H3/t23?,27-,28?,29+/m0/s1
chemicalCompound:standardIn...	SOLYWHPCUILIER-SXNYVGIYSA-N
chemicalCompound:canonicalS...	CCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]5Oc6c(O)ccc7CC1N(CC8CC8)CCC25c67
chemicalCompound:molecularF...	C29 H33 N3 O2
chemicalCompound:moleculeId	288150
chemicalCompound:mwFreebase	455.591
chemicalCompound:alogp	4.864
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	60.52
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.504
chemicalCompound:acdLogP	3.599
chemicalCompound:acdLogD	1.339
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	455.591
chemicalCompound:acdMostBpk...	8.976
chemicalCompound:chemblId	CHEMBL368600
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:388150
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:569190, activity:569191, activity:569192, activity:569193, activity:569194