147951

Source:http://linkedlifedata.com/resource/chembl/compound/147951

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C57H75N5O10/c1-10-24-68-48-38-16-14-17-39(48)29-43-33-47-35-45(51(43)71-27-13-4)31-41-19-15-18-40(49(41)69-25-11-2)30-44-34-46(32-42(28-38)50(44)70-26-12-3)54(65)60-36(5)52(63)58-20-22-62(56(67)72-57(7,8)9)23-21-59-53(64)37(6)61-55(47)66/h14-19,32-37H,10-13,20-31H2,1-9H3,(H,58,63)(H,59,64)(H,60,65)(H,61,66)/t36-,37-/m0/s1
chemicalCompound:standardIn...	IZQBQSSCXMWJBY-BCRBLDSWSA-N
chemicalCompound:canonicalS...	CCCOc1c2Cc3cc4cc(Cc5cccc(Cc6cc(cc(Cc1ccc2)c6OCCC)C(=O)N[C@@H](C)C(=O)NCCN(CCNC(=O)[C@H](C)NC4=O)C(=O)OC(C)(C)C)c5OCCC)c3OCCC
chemicalCompound:molecularF...	C57 H75 N5 O10
chemicalCompound:moleculeId	147951
chemicalCompound:mwFreebase	990.233
chemicalCompound:alogp	9.618
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	182.85
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.135
chemicalCompound:acdLogP	13.345
chemicalCompound:acdLogD	13.343
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	990.233
chemicalCompound:chemblId	CHEMBL216824
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:247951
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:137938, activity:137939, activity:137940, activity:137941, activity:137942