1049845

Source:http://linkedlifedata.com/resource/chembl/compound/1049845

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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:1049507
chemicalCompound:standardIn...	InChI=1S/C32H39N5O7S.2ClH/c1-19-23(30(32(41)42)35-29(19)27(20(2)38)31(35)40)17-34-24-7-3-6-22-21(8-9-25(28(22)24)45(34,43)44)5-4-10-36-11-14-37(15-12-36,16-13-36)18-26(33)39;;/h3,6-9,19-20,27,29,38H,4-5,10-18H2,1-2H3,(H-2,33,39,41,42);2*1H/t19-,20+,27+,29+,36?,37?;;/m0../s1
chemicalCompound:standardIn...	HFZZOBPZHKPZIG-DJWXNJCQSA-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)CN3c4cccc5c(CCC[N+]67CC[N+](CC(=O)N)(CC6)CC7)ccc(c45)S3(=O)=O
chemicalCompound:molecularF...	C32H41Cl2N5O7S
chemicalCompound:moleculeId	1049845
chemicalCompound:mwFreebase	639.762
chemicalCompound:alogp	-2.368
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	166.69
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.318
chemicalCompound:acdLogP	-2.458
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	710.668
chemicalCompound:chemblId	CHEMBL1626954
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149845
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:643937, activity:643938, activity:643939, activity:643940, activity:643941, activity:643942, activity:643943, activity:643944, activity:643945, activity:643946