377593

Source:http://linkedlifedata.com/resource/chembl/compound/377593

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/C18H23FN4O3/c1-5-23(4)18(2,3)17-21-13(14(24)16(26)22-17)15(25)20-10-11-6-8-12(19)9-7-11/h6-9,24H,5,10H2,1-4H3,(H,20,25)(H,21,22,26)
chemicalCompound:standardIn...	UUUUQRKSNGUFAX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(C)C(C)(C)c1nc(O)c(O)c(n1)C(=O)NCc2ccc(F)cc2
chemicalCompound:molecularF...	C18 H23 F N4 O3
chemicalCompound:moleculeId	377593
chemicalCompound:mwFreebase	362.399
chemicalCompound:alogp	2.638
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	98.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.035
chemicalCompound:acdLogP	2.51
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	362.399
chemicalCompound:acdMostBpk...	10.63
chemicalCompound:chemblId	CHEMBL387521
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:477593
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:1861354, activity:1861427, activity:1861456