332134

Source:http://linkedlifedata.com/resource/chembl/compound/332134

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/C34H42N4O6/c1-33(2,3)29(36-32(42)44-4)30(40)37-38(21-24-15-9-6-10-16-24)22-34(43,20-23-13-7-5-8-14-23)31(41)35-28-26-18-12-11-17-25(26)19-27(28)39/h5-18,27-29,39,43H,19-22H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/t27-,28+,29-,34+/m1/s1
chemicalCompound:standardIn...	XSDFQERHLPEHEB-UNMGZEBXSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@H](C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc2ccccc2)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C(C)(C)C
chemicalCompound:molecularF...	C34H42N4O6
chemicalCompound:moleculeId	332134
chemicalCompound:mwFreebase	602.72
chemicalCompound:alogp	3.674
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	140.23
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.101
chemicalCompound:acdLogP	3.808
chemicalCompound:acdLogD	3.808
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	602.72
chemicalCompound:acdMostBpk...	1.143
chemicalCompound:chemblId	CHEMBL436755
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432134
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:1654447, activity:1654448, activity:1654449, activity:1654450, activity:1654451, activity:1654452, activity:2916830, activity:2916834, activity:2916914, activity:2945411, activity:2945444