17252

Source:http://linkedlifedata.com/resource/chembl/compound/17252

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/C38H42N2O5S/c41-33(23-31(20-27-12-4-1-5-13-27)38(43)39-37-35-19-11-10-18-30(35)24-36(37)42)26-40-32(21-28-14-6-2-7-15-28)25-34(46(40,44)45)22-29-16-8-3-9-17-29/h1-19,31-34,36-37,41-42H,20-26H2,(H,39,43)/t31-,32+,33+,34+,36-,37+/m1/s1
chemicalCompound:standardIn...	WPMSUJIOSJKBDT-YSBXLBHBSA-N
chemicalCompound:canonicalS...	O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)CN4[C@@H](Cc5ccccc5)C[C@H](Cc6ccccc6)S4(=O)=O
chemicalCompound:molecularF...	C38 H42 N2 O5 S
chemicalCompound:moleculeId	17252
chemicalCompound:mwFreebase	638.815
chemicalCompound:alogp	5.363
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	115.32
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.165
chemicalCompound:acdLogD	6.165
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	638.815
chemicalCompound:chemblId	CHEMBL407895
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117252
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:1157592, activity:1157593