348020

Source:http://linkedlifedata.com/resource/chembl/compound/348020

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/C23H33N7O3S/c1-14(2)18(30-23(33)28-15(3)16-8-5-4-6-9-16)20(32)29-17(10-7-11-27-22(24)25)19(31)21-26-12-13-34-21/h4-6,8-9,12-15,17-18H,7,10-11H2,1-3H3,(H,29,32)(H4,24,25,27)(H2,28,30,33)/t15-,17+,18+/m1/s1
chemicalCompound:standardIn...	LZISZEYGLJKUGQ-NJAFHUGGSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c2nccs2
chemicalCompound:molecularF...	C23 H33 N7 O3 S
chemicalCompound:moleculeId	348020
chemicalCompound:mwFreebase	487.618
chemicalCompound:alogp	1.65
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	192.83
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.629
chemicalCompound:acdLogP	2
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	487.618
chemicalCompound:acdMostBpk...	13.316
chemicalCompound:chemblId	CHEMBL208597
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:448020
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:1725625