113287

Source:http://linkedlifedata.com/resource/chembl/compound/113287

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/C27H38N4O5/c32-23(10-6-2-5-9-20-7-3-1-4-8-20)29-15-17-30(18-16-29)27(36)31-24(26(34)35)22(25(31)33)19-21-11-13-28-14-12-21/h1,3-4,7-8,21-22,24,28H,2,5-6,9-19H2,(H,34,35)/t22-,24+/m1/s1
chemicalCompound:standardIn...	BOPGBYFJKNADGK-VWNXMTODSA-N
chemicalCompound:canonicalS...	OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N3CCN(CC3)C(=O)CCCCCc4ccccc4
chemicalCompound:molecularF...	C27 H38 N4 O5
chemicalCompound:moleculeId	113287
chemicalCompound:mwFreebase	498.614
chemicalCompound:alogp	-0.26
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.26
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.945
chemicalCompound:acdLogP	1.597
chemicalCompound:acdLogD	-0.903
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	498.614
chemicalCompound:acdMostBpk...	10.548
chemicalCompound:chemblId	CHEMBL70350
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213287
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:654110, activity:654111, activity:654112, activity:654113, activity:654114, activity:654115, activity:654116, activity:654117, activity:654118, activity:987087, activity:987088, activity:987089