|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H15N3/c20-13-18-7-6-17(16-8-10-21-11-9-16)12-19(18)22-14-15-4-2-1-3-5-15/h1-12,22H,14H2
|
|
chemicalCompound:standardIn... |
GWXPHWSUMLUDPO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N#Cc1ccc(cc1NCc2ccccc2)c3ccncc3
|
|
chemicalCompound:molecularF... |
C19H15N3
|
|
chemicalCompound:moleculeId |
1289283
|
|
chemicalCompound:mwFreebase |
285.342
|
|
chemicalCompound:alogp |
3.468
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
48.71
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.422
|
|
chemicalCompound:acdLogD |
4.422
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
285.342
|
|
chemicalCompound:acdMostBpk... |
4.227
|
|
chemicalCompound:chemblId |
CHEMBL1967992
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:9507077,
activity:9508055,
activity:9515233,
activity:9515328,
activity:9515826,
activity:9516055,
activity:9519893,
activity:9520082,
activity:9520784,
activity:9523413,
activity:9528046,
activity:9532072,
activity:9532988,
activity:9536805,
activity:9548383,
activity:9548562,
activity:9548804,
activity:9552266,
activity:9560880,
activity:9565411,
activity:9571756,
activity:9572955,
activity:9573769,
activity:9573977,
activity:9577176,
activity:9578461,
activity:9581281,
activity:9581856,
activity:9583271,
activity:9584304,
activity:9587310,
activity:9587822,
activity:9588470,
activity:9589353,
activity:9590325,
activity:9591755,
activity:9592744,
activity:9594539,
activity:9595663,
activity:9597066,
activity:9597849,
activity:9599666,
activity:9599970,
activity:9603027,
activity:9604914,
activity:9605564,
activity:9608352,
activity:9620738,
activity:9622639,
activity:9623572,
activity:9624116,
activity:9625853,
activity:9627102,
activity:9627687,
activity:9648577,
activity:9652486,
activity:9653016,
activity:9653122,
activity:9657577,
activity:9661416,
activity:9661762,
activity:9670092,
activity:9682751,
activity:9690352,
activity:9698379,
activity:9698880
|
