206055

Source:http://linkedlifedata.com/resource/chembl/compound/206055

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/C44H52N2O10/c1-29(2)35(43(51)55-27-33-21-13-7-14-22-33)45-41(49)39(53-25-31-17-9-5-10-18-31)37(47)38(48)40(54-26-32-19-11-6-12-20-32)42(50)46-36(30(3)4)44(52)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,47-48H,25-28H2,1-4H3,(H,45,49)(H,46,50)/t35-,36-,37+,38+,39+,40+/m0/s1
chemicalCompound:standardIn...	SNVBAYQMLSKSPI-OYEZVYLDSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)OCc3ccccc3)C(=O)OCc4ccccc4
chemicalCompound:molecularF...	C44 H52 N2 O10
chemicalCompound:moleculeId	206055
chemicalCompound:mwFreebase	768.891
chemicalCompound:alogp	5.691
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	169.71
chemicalCompound:rtb	23
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.39
chemicalCompound:acdLogP	9.569
chemicalCompound:acdLogD	9.569
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	768.891
chemicalCompound:chemblId	CHEMBL339598
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:306055
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:308102, activity:308103