674552

Source:http://linkedlifedata.com/resource/chembl/compound/674552

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:250297
chemicalCompound:synonym	synonym:674552_GR-85548A_RESEARCH_CODE, synonym:674552_Naratriptan Hydrochloride_USAN, synonym:674552_Naratriptan_BAN, synonym:674552_Naratriptan_INN
chemicalCompound:standardIn...	InChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1H
chemicalCompound:standardIn...	AWEZYKMQFAUBTD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
chemicalCompound:molecularF...	C17H26ClN3O2S
chemicalCompound:moleculeId	674552
chemicalCompound:mwFreebase	335.464
chemicalCompound:alogp	2.053
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	73.58
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.518
chemicalCompound:acdLogP	1.148
chemicalCompound:acdLogD	-0.853
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	371.925
chemicalCompound:acdMostBpk...	9.301
chemicalCompound:chemblId	CHEMBL1200601
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774552
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NARATRIPTAN HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7479
chemicalCompound:firstAppro...	1998