156448

Source:http://linkedlifedata.com/resource/chembl/compound/156448

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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/C30H29N3O3/c1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25/h2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35)/t22-/m0/s1
chemicalCompound:standardIn...	INIUOCWMNJACSH-QFIPXVFZSA-N
chemicalCompound:canonicalS...	C[C@H](OC(=O)NCc1ccccc1c2ccccc2C(=O)NCCc3ccccn3)c4ccccc4
chemicalCompound:molecularF...	C30 H29 N3 O3
chemicalCompound:moleculeId	156448
chemicalCompound:mwFreebase	479.57
chemicalCompound:alogp	5.184
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	80.31
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.639
chemicalCompound:acdLogP	3.365
chemicalCompound:acdLogD	3.361
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	479.57
chemicalCompound:acdMostBpk...	5.315
chemicalCompound:chemblId	CHEMBL317791
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256448
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:344005, activity:895392, activity:895393, activity:895394