956803

Source:http://linkedlifedata.com/resource/chembl/compound/956803

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1046212
chemicalCompound:standardIn...	InChI=1S/C24H30N4O3.C2H2O4/c1-17(2)31-23(29)25-20-11-10-19-9-8-18-6-4-5-7-21(18)28(22(19)16-20)24(30)27-14-12-26(3)13-15-27;3-1(4)2(5)6/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3,(H,25,29);(H,3,4)(H,5,6)
chemicalCompound:standardIn...	JLCDLYTZZKPZEI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)N4CCN(C)CC4)c2c1.OC(=O)C(=O)O
chemicalCompound:molecularF...	C26H32N4O7
chemicalCompound:moleculeId	956803
chemicalCompound:mwFreebase	422.52
chemicalCompound:alogp	3.982
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	65.12
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.641
chemicalCompound:acdLogP	2.688
chemicalCompound:acdLogD	2.601
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	512.555
chemicalCompound:acdMostBpk...	6.787
chemicalCompound:chemblId	CHEMBL1532919
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1056803
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:3731728, activity:3798374, activity:3855023, activity:3894786, activity:3927994, activity:4097721, activity:4280502, activity:4597542, activity:4678361, activity:4744583, activity:5370993, activity:5545210, activity:5669168, activity:5839436, activity:5954104, activity:6666540, activity:6796396, activity:6981249, activity:7007024, activity:7124743, activity:7242547, activity:7428817, activity:7456540, activity:7501172