1281401

Source:http://linkedlifedata.com/resource/chembl/compound/1281401

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/C27H27FN4O5/c1-27(16-36-21-9-6-18(7-10-21)24(29)30)15-31(2)22-13-20(8-11-23(22)37-27)32(25(33)26(34)35)14-17-4-3-5-19(28)12-17/h3-13H,14-16H2,1-2H3,(H3,29,30)(H,34,35)
chemicalCompound:standardIn...	HAMWFRTUTGKTBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CC(C)(COc2ccc(cc2)C(=N)N)Oc3ccc(cc13)N(Cc4cccc(F)c4)C(=O)C(=O)O
chemicalCompound:molecularF...	C27H27FN4O5
chemicalCompound:moleculeId	1281401
chemicalCompound:mwFreebase	506.525
chemicalCompound:alogp	3.608
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	129.18
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.675
chemicalCompound:acdLogP	2.903
chemicalCompound:acdLogD	0.402
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	506.525
chemicalCompound:acdMostBpk...	12.051
chemicalCompound:chemblId	CHEMBL1952404
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1381401
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:8040609, activity:8040648, activity:8040686, activity:8040724, activity:8040763