617156

Source:http://linkedlifedata.com/resource/chembl/compound/617156

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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/C44H43N3O7S/c1-27(2)23-44(18-19-48)24-34(54-47(44)26-28-8-10-30(11-9-28)29-6-4-3-5-7-29)25-45-43(55)46-31-12-15-35(38(20-31)42(51)52)41-36-16-13-32(49)21-39(36)53-40-22-33(50)14-17-37(40)41/h3-17,20-22,27,34,48-49H,18-19,23-26H2,1-2H3,(H,51,52)(H2,45,46,55)/t34-,44-/m1/s1
chemicalCompound:standardIn...	QWOAFEAXRLFILC-VBPQMRRDSA-N
chemicalCompound:canonicalS...	CC(C)C[C@]1(CCO)C[C@H](CNC(=S)Nc2ccc(C3=C4C=CC(=O)C=C4Oc5cc(O)ccc35)c(c2)C(=O)O)ON1Cc6ccc(cc6)c7ccccc7
chemicalCompound:molecularF...	C44H43N3O7S
chemicalCompound:moleculeId	617156
chemicalCompound:mwFreebase	757.893
chemicalCompound:alogp	7.324
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	172.68
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.313
chemicalCompound:acdLogP	9.291
chemicalCompound:acdLogD	6.466
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	757.893
chemicalCompound:acdMostBpk...	1.913
chemicalCompound:chemblId	CHEMBL1077474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:717156
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:3233876