188687

Source:http://linkedlifedata.com/resource/chembl/compound/188687

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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/C38H57N9O7/c1-36(2,3)29(40-34(51)53-10)32(49)39-27(21-24-15-13-12-14-16-24)28(48)23-46(44-33(50)30(37(4,5)6)41-35(52)54-11)22-25-17-19-26(20-18-25)31-42-45-47(43-31)38(7,8)9/h12-20,27-30,48H,21-23H2,1-11H3,(H,39,49)(H,40,51)(H,41,52)(H,44,50)/t27-,28-,29+,30+/m0/s1
chemicalCompound:standardIn...	RXWRDDXNHGYOJF-VZNYXHRGSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccc(cc2)c3nnn(n3)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
chemicalCompound:molecularF...	C38 H57 N9 O7
chemicalCompound:moleculeId	188687
chemicalCompound:mwFreebase	751.915
chemicalCompound:alogp	4.5
chemicalCompound:hba	11
chemicalCompound:hbd	5
chemicalCompound:psa	201.92
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.108
chemicalCompound:acdLogP	4.282
chemicalCompound:acdLogD	4.281
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	751.915
chemicalCompound:acdMostBpk...	1.158
chemicalCompound:chemblId	CHEMBL325271
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288687
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:231384, activity:231385, activity:231386, activity:231387, activity:231388