199483

Source:http://linkedlifedata.com/resource/chembl/compound/199483

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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/C35H44N4O7/c1-21-15-27(36)32(37)22(2)33(21)44-20-31(41)38-25(16-23-9-5-3-6-10-23)18-29(40)28(17-24-11-7-4-8-12-24)39-35(42)46-30-19-45-34-26(30)13-14-43-34/h3-12,15,25-26,28-30,34,40H,13-14,16-20,36-37H2,1-2H3,(H,38,41)(H,39,42)/t25-,26?,28-,29-,30-,34?/m0/s1
chemicalCompound:standardIn...	ZTWHXUIUOWXEOD-PMHYEKAYSA-N
chemicalCompound:canonicalS...	Cc1cc(N)c(N)c(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5
chemicalCompound:molecularF...	C35 H44 N4 O7
chemicalCompound:moleculeId	199483
chemicalCompound:mwFreebase	632.746
chemicalCompound:alogp	3.588
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	167.39
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.533
chemicalCompound:acdLogP	2.193
chemicalCompound:acdLogD	2.192
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	632.746
chemicalCompound:acdMostBpk...	4.731
chemicalCompound:chemblId	CHEMBL331033
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299483
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:72292, activity:72293, activity:72294