|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
|
|
chemicalCompound:standardIn... |
YDTDKKULPWTHRV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1[nH]nc2ccccc12
|
|
chemicalCompound:molecularF... |
C7H7N3
|
|
chemicalCompound:moleculeId |
755511
|
|
chemicalCompound:mwFreebase |
133.151
|
|
chemicalCompound:alogp |
0.988
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
54.7
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.126
|
|
chemicalCompound:acdLogD |
0.118
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
133.151
|
|
chemicalCompound:acdMostBpk... |
6.324
|
|
chemicalCompound:chemblId |
CHEMBL1331627
|
|
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:3718479,
activity:3773078,
activity:4934217,
activity:5010240,
activity:5078654,
activity:5293759,
activity:5990568,
activity:6007187,
activity:6018157,
activity:6021458,
activity:6066133,
activity:6325456,
activity:6325457,
activity:6325458,
activity:6325459,
activity:6325460,
activity:6325461,
activity:6325462,
activity:6325463,
activity:6325464,
activity:6325465,
activity:6325466,
activity:6325467,
activity:6325468,
activity:6325469,
activity:6325470,
activity:6325471,
activity:6325472,
activity:6325473,
activity:6325474,
activity:6325475,
activity:6325476,
activity:6325477,
activity:6325478,
activity:6325479,
activity:6325480,
activity:6325481,
activity:6325482,
activity:6325483,
activity:6325484,
activity:6325485,
activity:8232383,
activity:8261839,
activity:8353381,
activity:8364187,
activity:8376620,
activity:8383101,
activity:8480285,
activity:8563211,
activity:8565209,
activity:8625664,
activity:8641750,
activity:8706304,
activity:8717462,
activity:8746360,
activity:8757611,
activity:8854834,
activity:8866357,
activity:8881477,
activity:8910914,
activity:8949527,
activity:9049862,
activity:9079966,
activity:9126376,
activity:9146318,
activity:9166259,
activity:9270558
|
