184

Source:http://linkedlifedata.com/resource/chembl/compound/184

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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/C37H54N4O3/c1-29-39-21-23-41(29)22-8-6-11-31-13-15-32(16-14-31)27-37(43)40-35(28-42)26-33-17-18-36(34(25-33)12-5-7-20-38)44-24-19-30-9-3-2-4-10-30/h13-18,21,23,25,30,35,42H,2-12,19-20,22,24,26-28,38H2,1H3,(H,40,43)/t35-/m0/s1
chemicalCompound:standardIn...	POMULZQWVZXZEN-DHUJRADRSA-N
chemicalCompound:canonicalS...	Cc1nccn1CCCCc2ccc(CC(=O)N[C@H](CO)Cc3ccc(OCCC4CCCCC4)c(CCCCN)c3)cc2
chemicalCompound:molecularF...	C37 H54 N4 O3
chemicalCompound:moleculeId	184
chemicalCompound:mwFreebase	602.85
chemicalCompound:alogp	6.538
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	102.4
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.241
chemicalCompound:acdLogD	2.929
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	602.85
chemicalCompound:acdMostBpk...	10.525
chemicalCompound:chemblId	CHEMBL6227
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100184
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:648205, activity:648206, activity:648207, activity:648208