201141

Source:http://linkedlifedata.com/resource/chembl/compound/201141

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:659707
chemicalCompound:standardIn...	InChI=1S/C26H34N4O2.C2HF3O2/c27-22-10-8-19(9-11-22)18-29-26(32)24-7-4-16-30(24)25(31)17-23(20-5-2-1-3-6-20)21-12-14-28-15-13-21;3-2(4,5)1(6)7/h1-3,5-6,12-15,19,22-24H,4,7-11,16-18,27H2,(H,29,32);(H,6,7)/t19?,22?,23?,24-;/m0./s1
chemicalCompound:standardIn...	AZZTVZYHOXAZOC-DQEKOVOCSA-N
chemicalCompound:canonicalS...	NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c3ccccc3)c4ccncc4)CC1.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C26 H34 N4 O2 . C2 H F3 O2
chemicalCompound:moleculeId	201141
chemicalCompound:mwFreebase	434.574
chemicalCompound:alogp	2.186
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	88.32
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.621
chemicalCompound:acdLogD	-1.165
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	548.597
chemicalCompound:acdMostBpk...	10.499
chemicalCompound:chemblId	CHEMBL431675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301141
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:849030, activity:849031, activity:849032, activity:849033, activity:849034, activity:849035, activity:849036, activity:849037, activity:849038, activity:852358, activity:852359, activity:852360