1049848

Source:http://linkedlifedata.com/resource/chembl/compound/1049848

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1049655
chemicalCompound:standardIn...	InChI=1S/C37H41N5O7S.2ClH/c1-23-28(35(37(46)47)40-34(23)32(24(2)43)36(40)45)21-39-29-10-6-7-26-19-25(20-30(33(26)29)50(39,48)49)11-12-41-13-16-42(17-14-41,18-15-41)22-31(44)38-27-8-4-3-5-9-27;;/h3-10,19-20,23-24,32,34,43H,11-18,21-22H2,1-2H3;2*1H/t23-,24+,32+,34+,41?,42?;;/m0../s1
chemicalCompound:standardIn...	JVTHQDIHTHEVTJ-NHWUJSIJSA-N
chemicalCompound:canonicalS...	[Cl-].[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)CN3c4cccc5cc(CC[N+]67CC[N+](CC(=O)Nc8ccccc8)(CC6)CC7)cc(c45)S3(=O)=O
chemicalCompound:molecularF...	C37H43Cl2N5O7S
chemicalCompound:moleculeId	1049848
chemicalCompound:mwFreebase	701.832
chemicalCompound:alogp	-1.041
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	152.69
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.31
chemicalCompound:acdLogP	-0.354
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	772.738
chemicalCompound:acdMostBpk...	0.072
chemicalCompound:chemblId	CHEMBL1626957
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149848
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:636412, activity:636413, activity:636414, activity:636415, activity:636416, activity:636417, activity:636418, activity:636419