324600

Source:http://linkedlifedata.com/resource/chembl/compound/324600

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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/C30H40N4O7S2/c1-19(2)16-34(43(37,38)21-10-11-23-27(15-21)42-29(31-23)33(3)4)17-25(35)24(14-20-8-6-5-7-9-20)32-30(36)41-26-18-40-28-22(26)12-13-39-28/h5-11,15,19,22,24-26,28,35H,12-14,16-18H2,1-4H3,(H,32,36)/t22-,24-,25+,26-,28+/m0/s1
chemicalCompound:standardIn...	YHKDWSSIJPHEKZ-FKAUUQQGSA-N
chemicalCompound:canonicalS...	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc5nc(sc5c4)N(C)C
chemicalCompound:molecularF...	C30 H40 N4 O7 S2
chemicalCompound:moleculeId	324600
chemicalCompound:mwFreebase	632.791
chemicalCompound:alogp	3.546
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	167.14
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.395
chemicalCompound:acdLogP	4.875
chemicalCompound:acdLogD	4.875
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	632.791
chemicalCompound:acdMostBpk...	2.7
chemicalCompound:chemblId	CHEMBL371201
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:424600
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:1519297, activity:1519298, activity:1519299, activity:1519300, activity:1519301, activity:1519302