199773

Source:http://linkedlifedata.com/resource/chembl/compound/199773

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/C35H42N2O7/c1-23-10-9-11-24(2)33(23)42-22-32(39)37-29(19-26-14-7-4-8-15-26)30(38)20-27(18-25-12-5-3-6-13-25)36-35(40)44-31-21-43-34-28(31)16-17-41-34/h3-15,27-31,34,38H,16-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28?,29-,30-,31?,34?/m0/s1
chemicalCompound:standardIn...	GRHZLQBPAJAHDM-XZWGCREDSA-N
chemicalCompound:canonicalS...	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)OC4COC5OCCC45
chemicalCompound:molecularF...	C35 H42 N2 O7
chemicalCompound:moleculeId	199773
chemicalCompound:mwFreebase	602.717
chemicalCompound:alogp	5.081
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	115.35
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.782
chemicalCompound:acdLogP	5.145
chemicalCompound:acdLogD	5.145
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	602.717
chemicalCompound:chemblId	CHEMBL121484
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299773
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:91322, activity:91323, activity:91324