130637

Source:http://linkedlifedata.com/resource/chembl/compound/130637

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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:130637_L-694458_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1
chemicalCompound:standardIn...	ZSDCIRYNTCVTMF-GIGWZHCTSA-N
chemicalCompound:canonicalS...	CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N3CCN(C)CC3)C(CC)(CC)C1=O)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C31H40N4O6
chemicalCompound:moleculeId	130637
chemicalCompound:mwFreebase	564.672
chemicalCompound:alogp	4.997
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	100.65
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.749
chemicalCompound:acdLogP	3.655
chemicalCompound:acdLogD	3.567
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	564.672
chemicalCompound:acdMostBpk...	6.751
chemicalCompound:chemblId	CHEMBL310871
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:230637
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:851265, activity:851266, activity:851267, activity:851268, activity:1016046, activity:2200996, activity:2200998, activity:5315910, activity:5328870, activity:6075177