196873

Source:http://linkedlifedata.com/resource/chembl/compound/196873

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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/C19H30N4O4S/c1-2-3-6-14(13-28)18(24)22-17(7-4-5-12-20)19(25)21-15-8-10-16(11-9-15)23(26)27/h8-11,14,17,28H,2-7,12-13,20H2,1H3,(H,21,25)(H,22,24)/t14-,17+/m1/s1
chemicalCompound:standardIn...	USWGPESOCRONJJ-PBHICJAKSA-N
chemicalCompound:canonicalS...	CCCC[C@H](CS)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
chemicalCompound:molecularF...	C19 H30 N4 O4 S
chemicalCompound:moleculeId	196873
chemicalCompound:mwFreebase	410.531
chemicalCompound:alogp	2.688
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	168.84
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.752
chemicalCompound:acdLogP	3.645
chemicalCompound:acdLogD	0.902
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	410.531
chemicalCompound:acdMostBpk...	10.427
chemicalCompound:chemblId	CHEMBL325246
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:296873
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:640234, activity:640235