674171

Source:http://linkedlifedata.com/resource/chembl/compound/674171

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C31H38N4O/c36-31-24(18-17-23-12-11-21-33-29(23)31)22-32-19-9-3-1-2-4-10-20-34-30-25-13-5-7-15-27(25)35-28-16-8-6-14-26(28)30/h5,7,11-13,15,17-18,21,32,36H,1-4,6,8-10,14,16,19-20,22H2,(H,34,35)
chemicalCompound:standardIn...	NGLMDAPCUOIPCG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c(CNCCCCCCCCNc2c3CCCCc3nc4ccccc24)ccc5cccnc15
chemicalCompound:molecularF...	C31H38N4O
chemicalCompound:moleculeId	674171
chemicalCompound:mwFreebase	482.66
chemicalCompound:alogp	6.943
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	70.07
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.751
chemicalCompound:acdLogP	6.336
chemicalCompound:acdLogD	2.578
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	482.66
chemicalCompound:acdMostBpk...	9.909
chemicalCompound:chemblId	CHEMBL1200221
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774171
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:firstAppro...	1986