552317

Source:http://linkedlifedata.com/resource/chembl/compound/552317

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:668319
chemicalCompound:synonym	synonym:552317_Zinoconazole hydrochloride_OTHER
chemicalCompound:standardIn...	InChI=1S/C15H11Cl3N4S.ClH/c16-10-2-1-3-11(17)15(10)21-20-12(8-22-7-6-19-9-22)13-4-5-14(18)23-13;/h1-7,9,21H,8H2;1H/b20-12-;
chemicalCompound:standardIn...	ABBHTBYIHZTISS-GRWWMUSUSA-N
chemicalCompound:canonicalS...	Cl.Clc1ccc(s1)\C(=N/Nc2c(Cl)cccc2Cl)\Cn3ccnc3
chemicalCompound:molecularF...	C15H12Cl4N4S
chemicalCompound:moleculeId	552317
chemicalCompound:mwFreebase	385.699
chemicalCompound:alogp	4.779
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	70.44
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.069
chemicalCompound:acdLogP	4.359
chemicalCompound:acdLogD	4.283
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.16
chemicalCompound:acdMostBpk...	6.309
chemicalCompound:chemblId	CHEMBL552561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652317
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:344060, activity:344061, activity:344062, activity:344063, activity:344064, activity:344065, activity:344066, activity:344067