801

Source:http://linkedlifedata.com/resource/chembl/compound/801

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C18H17ClN4S/c19-13-6-7-15-16(12-13)22-18(24-14-4-2-1-3-5-14)17(21-15)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2
chemicalCompound:standardIn...	KFNGYQUIDOPJEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2nc(N3CCNCC3)c(Sc4ccccc4)nc2c1
chemicalCompound:molecularF...	C18H17ClN4S
chemicalCompound:moleculeId	801
chemicalCompound:mwFreebase	356.872
chemicalCompound:alogp	4.738
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	66.35
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.036
chemicalCompound:acdLogD	2.231
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	356.872
chemicalCompound:acdMostBpk...	8.102
chemicalCompound:chemblId	CHEMBL6888
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100801
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No