48465

Source:http://linkedlifedata.com/resource/chembl/compound/48465

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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/C26H34N4O9S/c1-40(38,39)29-21-14-17(4-8-22(21)31)23(32)15-27-18-10-12-30(13-11-18)19-5-2-16(3-6-19)25(35)28-20(26(36)37)7-9-24(33)34/h2-6,8,14,18,20,23,27,29,31-32H,7,9-13,15H2,1H3,(H,28,35)(H,33,34)(H,36,37)/t20-,23-/m0/s1
chemicalCompound:standardIn...	AZINCISUKKFOHZ-REWPJTCUSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC2CCN(CC2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
chemicalCompound:molecularF...	C26 H34 N4 O9 S
chemicalCompound:moleculeId	48465
chemicalCompound:mwFreebase	578.635
chemicalCompound:alogp	-2.52
chemicalCompound:hba	11
chemicalCompound:hbd	7
chemicalCompound:psa	213.97
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.565
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	-2.664
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	578.635
chemicalCompound:acdMostBpk...	8.802
chemicalCompound:chemblId	CHEMBL286126
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148465
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:358979, activity:358980, activity:358981