15305

Source:http://linkedlifedata.com/resource/chembl/compound/15305

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/C18H22FN3O3/c1-4-21-9-13(18(24)25)17(23)12-5-14(19)16(6-15(12)21)22-7-10(2)20-11(3)8-22/h5-6,9-11,20H,4,7-8H2,1-3H3,(H,24,25)
chemicalCompound:standardIn...	TWDFGXPYRHMQQB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CC(C)NC(C)C3
chemicalCompound:molecularF...	C18 H22 F N3 O3
chemicalCompound:moleculeId	15305
chemicalCompound:mwFreebase	347.384
chemicalCompound:alogp	-0.656
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.159
chemicalCompound:acdLogP	2.815
chemicalCompound:acdLogD	0.39
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	347.384
chemicalCompound:acdMostBpk...	8.803
chemicalCompound:chemblId	CHEMBL15387
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115305
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:66378, activity:187692, activity:187693, activity:187694, activity:187695, activity:187696, activity:187697, activity:187698, activity:187699, activity:187700, activity:187701, activity:187702, activity:187703, activity:295064, activity:295065, activity:295066, activity:295067, activity:295068, activity:295069, activity:295070, activity:624708, activity:624709, activity:624710, activity:624711, activity:624712, activity:624713, activity:624714, activity:624715, activity:624716, activity:624717, activity:624718, activity:624719, activity:624720