122040

Source:http://linkedlifedata.com/resource/chembl/compound/122040

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:122040_SNAP-5114_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
chemicalCompound:standardIn...	VDLDUZLDZBVOAS-QFIPXVFZSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(OCCN2CCC[C@@H](C2)C(=O)O)(c3ccc(OC)cc3)c4ccc(OC)cc4
chemicalCompound:molecularF...	C30H35NO6
chemicalCompound:moleculeId	122040
chemicalCompound:mwFreebase	505.602
chemicalCompound:alogp	1.977
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	77.46
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.848
chemicalCompound:acdLogP	4.654
chemicalCompound:acdLogD	2.153
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	505.602
chemicalCompound:acdMostBpk...	9.349
chemicalCompound:chemblId	CHEMBL75035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:222040
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:835141, activity:835142, activity:835143, activity:835144, activity:2507544, activity:2507557, activity:2507564, activity:2507566, activity:3328412, activity:3328413, activity:3328465, activity:3328476, activity:5084575, activity:6191511, activity:6191514, activity:6191517, activity:6191520, activity:7933522, activity:7933523, activity:7933524, activity:7933525, activity:7933689, activity:7933690