268425

Source:http://linkedlifedata.com/resource/chembl/compound/268425

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C33H43N5O7/c1-21(2)15-27(30(40)33(43)44-3)36-32(42)28(18-25-19-34-20-35-25)37-31(41)24(17-29(39)38-11-13-45-14-12-38)16-23-9-6-8-22-7-4-5-10-26(22)23/h4-10,19-21,24,27-28,30,40H,11-18H2,1-3H3,(H,34,35)(H,36,42)(H,37,41)
chemicalCompound:standardIn...	HZGNFWNTVQBRHK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)N2CCOCC2)Cc3cccc4ccccc34
chemicalCompound:molecularF...	C33 H43 N5 O7
chemicalCompound:moleculeId	268425
chemicalCompound:mwFreebase	621.724
chemicalCompound:alogp	1.591
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	162.94
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.268
chemicalCompound:acdLogP	1.877
chemicalCompound:acdLogD	1.734
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	621.724
chemicalCompound:acdMostBpk...	6.693
chemicalCompound:chemblId	CHEMBL159389
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:368425
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:1007995, activity:1007996, activity:1007997, activity:1007998