4332

Source:http://linkedlifedata.com/resource/chembl/compound/4332

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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/C27H27ClN4O8S/c1-16(33)39-13-19-15-41-25-22(24(35)32(25)23(19)26(36)37)30-21(34)12-31(40-14-18-9-5-6-10-20(18)28)27(38)29-11-17-7-3-2-4-8-17/h2-10,22,25H,11-15H2,1H3,(H,29,38)(H,30,34)(H,36,37)/t22-,25?/m1/s1
chemicalCompound:standardIn...	KMDBLZJZIYSIHX-UFUCKMQHSA-N
chemicalCompound:canonicalS...	CC(=O)OCC1=C(N2C(SC1)[C@H](NC(=O)CN(OCc3ccccc3Cl)C(=O)NCc4ccccc4)C2=O)C(=O)O
chemicalCompound:molecularF...	C27 H27 Cl N4 O8 S
chemicalCompound:moleculeId	4332
chemicalCompound:mwFreebase	603.043
chemicalCompound:alogp	1.694
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	179.87
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.677
chemicalCompound:acdLogP	2.109
chemicalCompound:acdLogD	-1.599
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	603.043
chemicalCompound:chemblId	CHEMBL8716
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104332
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:727499, activity:727500, activity:727501, activity:727502, activity:727503, activity:727504, activity:727505, activity:727506, activity:727507, activity:727508, activity:727509, activity:727510, activity:727511, activity:727512