310591

Source:http://linkedlifedata.com/resource/chembl/compound/310591

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/C19H25N5O3/c20-7-6-15(19(26)24-10-8-22-9-11-24)23-18(25)17-5-4-16(27-17)13-2-1-3-14(21)12-13/h1-5,12,15,22H,6-11,20-21H2,(H,23,25)/t15-/m1/s1
chemicalCompound:standardIn...	WEPQTDPKMVYVAO-OAHLLOKOSA-N
chemicalCompound:canonicalS...	NCC[C@@H](NC(=O)c1oc(cc1)c2cccc(N)c2)C(=O)N3CCNCC3
chemicalCompound:molecularF...	C19 H25 N5 O3
chemicalCompound:moleculeId	310591
chemicalCompound:mwFreebase	371.434
chemicalCompound:alogp	-0.448
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	126.61
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.76
chemicalCompound:acdLogP	-0.241
chemicalCompound:acdLogD	-2.333
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	371.434
chemicalCompound:acdMostBpk...	9.155
chemicalCompound:chemblId	CHEMBL360855
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410591
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:1453288, activity:1453289, activity:1453290