18

Source:http://linkedlifedata.com/resource/chembl/compound/18

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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/C38H49N7O7S/c1-23(2)20-31-37(51)41-27(17-19-53-3)34(48)40-26(14-15-32(39)46)33(47)43-30(22-25-12-8-5-9-13-25)36(50)44-29(21-24-10-6-4-7-11-24)35(49)42-28-16-18-45(31)38(28)52/h4-13,16,18,23,26-31H,14-15,17,19-22H2,1-3H3,(H2,39,46)(H,40,48)(H,41,51)(H,42,49)(H,43,47)(H,44,50)/t26?,27-,28?,29+,30-,31+/m1/s1
chemicalCompound:standardIn...	VXIKHSPFWJMZRW-PZEIPPKYSA-N
chemicalCompound:canonicalS...	CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)C(CCC(=O)N)NC1=O)C2=O
chemicalCompound:molecularF...	C38 H49 N7 O7 S
chemicalCompound:moleculeId	18
chemicalCompound:mwFreebase	747.903
chemicalCompound:alogp	0.62
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	234.2
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.421
chemicalCompound:acdLogP	-0.802
chemicalCompound:acdLogD	-0.802
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	747.903
chemicalCompound:chemblId	CHEMBL269135
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100018
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:71144