220633

Source:http://linkedlifedata.com/resource/chembl/compound/220633

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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/C18H25FN4O3S2/c1-13(27)21-20-11-15-12-23(18(24)26-15)14-2-3-17(16(19)10-14)25-7-4-22-5-8-28-9-6-22/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,21,27)/t15-/m0/s1
chemicalCompound:standardIn...	SKYSRVJACHXOHO-HNNXBMFYSA-N
chemicalCompound:canonicalS...	C\C(=N\NC[C@H]1CN(C(=O)O1)c2ccc(OCCN3CCSCC3)c(F)c2)\S
chemicalCompound:molecularF...	C18 H25 F N4 O3 S2
chemicalCompound:moleculeId	220633
chemicalCompound:mwFreebase	428.544
chemicalCompound:alogp	2.391
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	130.5
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.588
chemicalCompound:acdLogP	2.516
chemicalCompound:acdLogD	1.264
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	428.544
chemicalCompound:acdMostBpk...	8.615
chemicalCompound:chemblId	CHEMBL133098
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:320633
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:755841, activity:755842, activity:755843, activity:755844, activity:755845, activity:755846