43562

Source:http://linkedlifedata.com/resource/chembl/compound/43562

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/C30H33ClN2O5/c31-22-11-8-19(9-12-22)5-3-4-16-32-29(36)24-18-37-30(33-24)28-23(25-13-14-26(28)38-25)17-21-7-2-1-6-20(21)10-15-27(34)35/h1-2,6-9,11-12,18,23,25-26,28H,3-5,10,13-17H2,(H,32,36)(H,34,35)
chemicalCompound:standardIn...	QAEXGGHIOIAOAF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCc1ccccc1CC2C3CCC(O3)C2c4occ(n4)C(=O)NCCCCc5ccc(Cl)cc5
chemicalCompound:molecularF...	C30 H33 Cl N2 O5
chemicalCompound:moleculeId	43562
chemicalCompound:mwFreebase	537.046
chemicalCompound:alogp	5.588
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	101.66
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.684
chemicalCompound:acdLogP	4.779
chemicalCompound:acdLogD	2.1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	537.046
chemicalCompound:chemblId	CHEMBL30615
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:143562
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:586521, activity:586522, activity:586523, activity:586524, activity:586525, activity:880415, activity:880416