704953

Source:http://linkedlifedata.com/resource/chembl/compound/704953

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:704953_IMMUCILLIN A_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7?,9-,10+/m1/s1
chemicalCompound:standardIn...	AMFDITJFBUXZQN-YNFHYIOASA-N
chemicalCompound:canonicalS...	Nc1ncnc2c(c[nH]c12)C3N[C@H](CO)[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C11H15N5O3
chemicalCompound:moleculeId	704953
chemicalCompound:mwFreebase	265.268
chemicalCompound:alogp	-1.582
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	140.31
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.785
chemicalCompound:acdLogP	0.599
chemicalCompound:acdLogD	0.235
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	265.268
chemicalCompound:acdMostBpk...	7.496
chemicalCompound:chemblId	CHEMBL1255971
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:804953
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	IMMUCILLIN A
chemicalCompound:activity	activity:3485431, activity:3485487, activity:3485497, activity:3485507, activity:3485526, activity:3485575, activity:3485585, activity:3485640, activity:3487561