314172

Source:http://linkedlifedata.com/resource/chembl/compound/314172

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:314172_NCI-10777_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C13H18Cl2N2S/c14-11-2-3-12(15)13(10-11)18-9-1-6-17-7-4-16-5-8-17/h2-3,10,16H,1,4-9H2
chemicalCompound:standardIn...	YCJUISCEMNHDHX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(Cl)c(SCCCN2CCNCC2)c1
chemicalCompound:molecularF...	C13H18Cl2N2S
chemicalCompound:moleculeId	314172
chemicalCompound:mwFreebase	305.266
chemicalCompound:alogp	3.323
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.57
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.105
chemicalCompound:acdLogD	1.288
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	305.266
chemicalCompound:acdMostBpk...	9.208
chemicalCompound:chemblId	CHEMBL189724
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:414172
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:1473846, activity:4651851, activity:4969926, activity:5988619, activity:5995754, activity:6051008, activity:6066296, activity:6069537