195909

Source:http://linkedlifedata.com/resource/chembl/compound/195909

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/C27H37N6O10P/c1-3-15(2)23(26(37)31-20(24(30)35)13-22(29)34)33-25(36)21(12-16-7-9-19(10-8-16)43-44(39,40)41)32-27(38)42-14-17-5-4-6-18(28)11-17/h4-11,15,20-21,23H,3,12-14,28H2,1-2H3,(H2,29,34)(H2,30,35)(H,31,37)(H,32,38)(H,33,36)(H2,39,40,41)/t15-,20-,21-,23-/m0/s1
chemicalCompound:standardIn...	NIOCFHRLKNWSBD-RJCMWMPSSA-N
chemicalCompound:canonicalS...	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)OCc2cccc(N)c2)C(=O)N[C@@H](CC(=O)N)C(=O)N
chemicalCompound:molecularF...	C27 H37 N6 O10 P
chemicalCompound:moleculeId	195909
chemicalCompound:mwFreebase	636.591
chemicalCompound:alogp	0.392
chemicalCompound:hba	11
chemicalCompound:hbd	8
chemicalCompound:psa	285.29
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.274
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-4.047
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	636.591
chemicalCompound:acdMostBpk...	4.114
chemicalCompound:chemblId	CHEMBL327037
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:295909
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:978234