352801

Source:http://linkedlifedata.com/resource/chembl/compound/352801

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H26FN5O3S/c25-20-14-18(30-16-19(33-24(30)32)15-27-23(26)34)7-8-21(20)28-10-12-29(13-11-28)22(31)9-6-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H3,26,27,34)/b9-6+/t19-/m0/s1
chemicalCompound:standardIn...	JZIGQNLKQNKYRH-AIADIJKESA-N
chemicalCompound:canonicalS...	NC(=S)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)\C=C\c4ccccc4)c(F)c2
chemicalCompound:molecularF...	C24 H26 F N5 O3 S
chemicalCompound:moleculeId	352801
chemicalCompound:mwFreebase	483.558
chemicalCompound:alogp	3.408
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	123.22
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.931
chemicalCompound:acdLogP	1.711
chemicalCompound:acdLogD	1.711
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	483.558
chemicalCompound:acdMostBpk...	1.747
chemicalCompound:chemblId	CHEMBL384136
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:452801
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:1276779, activity:1276780, activity:1276781, activity:1276782, activity:1276783, activity:1276784, activity:1276785, activity:1276786, activity:1276787, activity:1276788, activity:1276789, activity:1737295, activity:1737415