1307894

Source:http://linkedlifedata.com/resource/chembl/compound/1307894

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/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
chemicalCompound:standardIn...	XBNSDTLFWKORGH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1onc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)c3ccc(cc3)n4cccn4)c1
chemicalCompound:molecularF...	C21H21N7O3S
chemicalCompound:moleculeId	1307894
chemicalCompound:mwFreebase	451.502
chemicalCompound:alogp	2.285
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	155.2
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.491
chemicalCompound:acdLogP	4.209
chemicalCompound:acdLogD	3.283
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	451.502
chemicalCompound:acdMostBpk...	3.153
chemicalCompound:chemblId	CHEMBL1986603
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1407894
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:9507466, activity:9507986, activity:9519413, activity:9520008, activity:9520222, activity:9520482, activity:9520712, activity:9524073, activity:9532823, activity:9532924, activity:9535970, activity:9536224, activity:9536504, activity:9539864, activity:9545026, activity:9545372, activity:9548706, activity:9549315, activity:9552167, activity:9552512, activity:9552738, activity:9557272, activity:9557671, activity:9557810, activity:9561045, activity:9565322, activity:9565716, activity:9568785, activity:9570291, activity:9572158, activity:9573446, activity:9574803, activity:9575158, activity:9575519, activity:9576156, activity:9577637, activity:9578377, activity:9580104, activity:9581672, activity:9581769, activity:9582708, activity:9583186, activity:9584526, activity:9584898, activity:9586667, activity:9587229, activity:9587491, activity:9587727, activity:9589259, activity:9589981, activity:9592294, activity:9593489, activity:9594451, activity:9595218, activity:9595578, activity:9596333, activity:9596983, activity:9597668, activity:9597748, activity:9600526, activity:9601915, activity:9602367, activity:9602938, activity:9604827, activity:9606346, activity:9606544