13710

Source:http://linkedlifedata.com/resource/chembl/compound/13710

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/C24H21ClFN5O/c25-17-3-7-20(8-4-17)32-24-28-14-11-21(30-24)23-22(16-1-5-18(26)6-2-16)29-15-31(23)19-9-12-27-13-10-19/h1-8,11,14-15,19,27H,9-10,12-13H2
chemicalCompound:standardIn...	ZTUCRQHYVRNKFG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccc(Cl)cc5)n4
chemicalCompound:molecularF...	C24H21ClFN5O
chemicalCompound:moleculeId	13710
chemicalCompound:mwFreebase	449.908
chemicalCompound:alogp	4.855
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	64.86
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.755
chemicalCompound:acdLogD	0.308
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	449.908
chemicalCompound:acdMostBpk...	9.909
chemicalCompound:chemblId	CHEMBL275168
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113710
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:1152317, activity:6218548, activity:6218592, activity:7334677, activity:8105096, activity:8105097, activity:8105098, activity:8105099, activity:8105100, activity:8105101, activity:8105102, activity:8105103, activity:8105104, activity:8105105, activity:8105106, activity:8105107, activity:8105108, activity:8105109, activity:8105110, activity:8105111, activity:8105112, activity:8105113, activity:8105114, activity:8105115, activity:8105116, activity:8105117, activity:8105118, activity:8105119, activity:8105120, activity:8105121, activity:8105122, activity:8105123, activity:8105124, activity:8105125, activity:8105126, activity:8105127, activity:8105128, activity:8105129, activity:8105130, activity:8105131, activity:8105132, activity:8105133, activity:8105134, activity:8105135, activity:8105136, activity:8105137, activity:8105138, activity:8105139, activity:8105140, activity:8105141, activity:8105142, activity:8105143, activity:8105144, activity:8105145, activity:8105146, activity:8105147, activity:8105148, activity:8105149, activity:8105150, activity:8105151, activity:8105152, activity:8105153, activity:8105154, activity:8105155, activity:8105156, activity:8105157, activity:8105158