112497

Source:http://linkedlifedata.com/resource/chembl/compound/112497

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/C25H25FN4O4S/c1-16(31)27-14-20-15-30(25(32)33-20)18-4-5-23(21(26)12-18)29-8-6-17(7-9-29)11-19-13-22(28-34-19)24-3-2-10-35-24/h2-5,10-13,20H,6-9,14-15H2,1H3,(H,27,31)/t20-/m0/s1
chemicalCompound:standardIn...	DVAZCVWCQRZFNH-FQEVSTJZSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCC(=Cc4onc(c4)c5cccs5)CC3)c(F)c2
chemicalCompound:molecularF...	C25 H25 F N4 O4 S
chemicalCompound:moleculeId	112497
chemicalCompound:mwFreebase	496.554
chemicalCompound:alogp	4.26
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	116.15
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.425
chemicalCompound:acdLogD	3.271
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	496.554
chemicalCompound:acdMostBpk...	7.003
chemicalCompound:chemblId	CHEMBL68309
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212497
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:185534, activity:185535, activity:185536, activity:185537, activity:185538, activity:185539, activity:185540, activity:185541, activity:185542, activity:185543, activity:185544