975979

Source:http://linkedlifedata.com/resource/chembl/compound/975979

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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/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23+,25+,26+,27-,32-,33+/m1/s1
chemicalCompound:standardIn...	LUZRJRNZXALNLM-WHVWHDPISA-N
chemicalCompound:canonicalS...	CN1C[C@@H](C[C@@H]2[C@@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O
chemicalCompound:molecularF...	C33H37N5O5
chemicalCompound:moleculeId	975979
chemicalCompound:mwFreebase	583.677
chemicalCompound:alogp	3.2
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	118.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.64
chemicalCompound:acdLogP	5.691
chemicalCompound:acdLogD	5.467
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	583.677
chemicalCompound:acdMostBpk...	7.22
chemicalCompound:chemblId	CHEMBL1552095
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1075979
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:3619314, activity:3731550, activity:3927315, activity:3971163, activity:4016376, activity:4027320, activity:4467525, activity:4949282, activity:4981994, activity:5018161, activity:5025143, activity:5073255, activity:5994537, activity:6024071, activity:6052422, activity:6053299, activity:6059802