364353

Source:http://linkedlifedata.com/resource/chembl/compound/364353

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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/C32H32FN3O7S2/c1-42-25-12-6-14-27(18-25)45(40,41)35(19-26-13-7-15-44-26)20-29(37)28(16-22-8-3-2-4-9-22)34-31(38)30-21-36(32(39)43-30)24-11-5-10-23(33)17-24/h2-15,17-18,28-30,37H,16,19-21H2,1H3,(H,34,38)/t28-,29+,30-/m0/s1
chemicalCompound:standardIn...	JBCCPGIVIKMXGT-JBOQNHBVSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(F)c4)Cc5cccs5
chemicalCompound:molecularF...	C32H32FN3O7S2
chemicalCompound:moleculeId	364353
chemicalCompound:mwFreebase	653.741
chemicalCompound:alogp	4.514
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	162.1
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.011
chemicalCompound:acdLogP	5.64
chemicalCompound:acdLogD	5.64
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	653.741
chemicalCompound:chemblId	CHEMBL220455
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464353
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:1795410, activity:2496888, activity:2496983