1154624

Source:http://linkedlifedata.com/resource/chembl/compound/1154624

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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/C27H29N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-10-19-9-4-5-12-23(19)25)27(32)29-21(17-31)15-20-16-28-24-13-7-6-11-22(20)24/h4-14,16-18,21,26,28,30H,3,15H2,1-2H3,(H,29,32)/t18-,21-,26+/m1/s1
chemicalCompound:standardIn...	FFPHAWVFZQFOJA-OFUUFJSKSA-N
chemicalCompound:canonicalS...	CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C=O
chemicalCompound:molecularF...	C27H29N3O4S
chemicalCompound:moleculeId	1154624
chemicalCompound:mwFreebase	491.602
chemicalCompound:alogp	4.329
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	116.51
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.248
chemicalCompound:acdLogP	4.268
chemicalCompound:acdLogD	4.253
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.602
chemicalCompound:chemblId	CHEMBL1790993
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1254624
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:338946, activity:338947, activity:338948, activity:338949, activity:338950, activity:338951, activity:338952, activity:338953, activity:338954, activity:338955, activity:338956, activity:338957