251290

Source:http://linkedlifedata.com/resource/chembl/compound/251290

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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/C36H40N4O8S/c1-37-35(43)27-13-9-11-25(19-27)21-39-31(23-47-29-15-5-3-6-16-29)33(41)34(42)32(24-48-30-17-7-4-8-18-30)40(49(39,45)46)22-26-12-10-14-28(20-26)36(44)38-2/h3-20,31-34,41-42H,21-24H2,1-2H3,(H,37,43)(H,38,44)/t31-,32-,33+,34+/m1/s1
chemicalCompound:standardIn...	JXCRNYYHOBWABD-WZJLIZBTSA-N
chemicalCompound:canonicalS...	CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc4ccccc4)N(Cc5cccc(c5)C(=O)NC)S2(=O)=O)c1
chemicalCompound:molecularF...	C36 H40 N4 O8 S
chemicalCompound:moleculeId	251290
chemicalCompound:mwFreebase	688.79
chemicalCompound:alogp	2.663
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	166.12
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.773
chemicalCompound:acdLogP	3.599
chemicalCompound:acdLogD	3.598
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	688.79
chemicalCompound:chemblId	CHEMBL436262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:351290
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:159953, activity:159954, activity:159955, activity:159956