205346

Source:http://linkedlifedata.com/resource/chembl/compound/205346

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C26H31N3O8S2/c1-3-15(2)21(27)25(32)29-39(33,34)35-13-20-22(30)23(31)24(37-20)26-28-19(14-38-26)16-9-11-18(12-10-16)36-17-7-5-4-6-8-17/h4-12,14-15,20-24,30-31H,3,13,27H2,1-2H3,(H,29,32)/t15?,20-,21+,22-,23-,24-/m1/s1
chemicalCompound:standardIn...	VMXXHKARGFATOU-AKYFKCFRSA-N
chemicalCompound:canonicalS...	CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2nc(cs2)c3ccc(Oc4ccccc4)cc3
chemicalCompound:molecularF...	C26 H31 N3 O8 S2
chemicalCompound:moleculeId	205346
chemicalCompound:mwFreebase	577.67
chemicalCompound:alogp	2.186
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	206.91
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.3
chemicalCompound:acdLogP	3.487
chemicalCompound:acdLogD	1.123
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	577.67
chemicalCompound:acdMostBpk...	8.052
chemicalCompound:chemblId	CHEMBL125221
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305346
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:299896, activity:299897, activity:299898, activity:299899