1049857

Source:http://linkedlifedata.com/resource/chembl/compound/1049857

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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:1049656
chemicalCompound:standardIn...	InChI=1S/C32H41N4O7S.2ClH/c1-20-24(30(32(40)41)34-29(20)27(21(2)38)31(34)39)19-33-25-6-3-5-23-17-22(18-26(28(23)25)44(33,42)43)7-9-36-13-10-35(11-14-36,12-15-36)8-4-16-37;;/h3,5-6,17-18,20-21,27,29,37-38H,4,7-16,19H2,1-2H3;2*1H/q+1;;/p-1/t20-,21+,27+,29+,35?,36?;;/m0../s1
chemicalCompound:standardIn...	NKCKSTWVRQZHMG-KEXBORCYSA-M
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+](CCCO)(CC6)CC7)cc(c45)S3(=O)=O
chemicalCompound:molecularF...	C32H42Cl2N4O7S
chemicalCompound:moleculeId	1049857
chemicalCompound:mwFreebase	626.763
chemicalCompound:alogp	-2.155
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	143.82
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.31
chemicalCompound:acdLogP	-3.936
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	697.669
chemicalCompound:chemblId	CHEMBL1626966
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149857
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:652219, activity:652220, activity:652221, activity:652222, activity:652223, activity:652224