|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
|
|
chemicalCompound:standardIn... |
OZOMQRBLCMDCEG-VIZOYTHASA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)cc2
|
|
chemicalCompound:molecularF... |
C14H10N4O5
|
|
chemicalCompound:moleculeId |
675239
|
|
chemicalCompound:mwFreebase |
314.253
|
|
chemicalCompound:alogp |
1.79
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
120.72
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
7.679
|
|
chemicalCompound:acdLogP |
1.069
|
|
chemicalCompound:acdLogD |
0.888
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
314.253
|
|
chemicalCompound:chemblId |
CHEMBL1201288
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DANTROLENE
|
|
chemicalCompound:activity |
activity:3218636,
activity:3636654,
activity:4009883,
activity:4026844,
activity:4383149,
activity:5080228,
activity:5080296,
activity:5082900,
activity:5083130,
activity:5083709,
activity:5315872,
activity:5326236,
activity:5326237,
activity:5326238,
activity:5326239,
activity:5326240,
activity:5326241,
activity:5326242,
activity:5326243,
activity:5326244,
activity:5326245,
activity:5326246,
activity:5326247,
activity:5326248,
activity:5326249,
activity:5326250,
activity:5326251,
activity:5326252,
activity:5326253,
activity:5334141,
activity:6596963,
activity:6881000,
activity:7147487,
activity:7828953,
activity:7835005,
activity:7835006,
activity:7835007,
activity:7835008,
activity:7835009,
activity:7835010,
activity:7835011,
activity:7835012,
activity:7835013,
activity:7835014,
activity:7835015,
activity:7835016,
activity:7835017,
activity:7835018
|
