231737

Source:http://linkedlifedata.com/resource/chembl/compound/231737

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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/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,20,22,25H,3-4,13-14H2,1-2H3/t20-,22-/m1/s1
chemicalCompound:standardIn...	XWBJKKIHTRCECR-IFMALSPDSA-N
chemicalCompound:canonicalS...	CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c5ccc(OC)cc5
chemicalCompound:molecularF...	C24H25N3O3
chemicalCompound:moleculeId	231737
chemicalCompound:mwFreebase	403.474
chemicalCompound:alogp	4.447
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	65.64
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.653
chemicalCompound:acdLogD	4.653
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	403.474
chemicalCompound:chemblId	CHEMBL422104
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:331737
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:642026, activity:642027, activity:642028, activity:642029, activity:642030, activity:642031, activity:2566995