417912

Source:http://linkedlifedata.com/resource/chembl/compound/417912

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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/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-17-39-15-11-25(12-16-39)35(43)40-14-5-6-29(42)22-40)31-21-32(45-34(31)38-33)37(3,4)36(44)41-27-7-8-28(41)10-9-27/h18-21,25,27-29,38,42H,5-17,22H2,1-4H3
chemicalCompound:standardIn...	PTNVYXQJHUWHKM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(c1)c2[nH]c3sc(cc3c2CCN4CCC(CC4)C(=O)N5CCCC(O)C5)C(C)(C)C(=O)N6C7CCC6CC7
chemicalCompound:molecularF...	C37 H50 N4 O3 S
chemicalCompound:moleculeId	417912
chemicalCompound:mwFreebase	630.883
chemicalCompound:alogp	6.275
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	108.12
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.861
chemicalCompound:acdLogD	3.647
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	630.883
chemicalCompound:acdMostBpk...	8.753
chemicalCompound:chemblId	CHEMBL251388
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:517912
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:2052152, activity:2052163, activity:2052174, activity:2052190, activity:2052197