|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
|
|
chemicalCompound:standardIn... |
DPKHZNPWBDQZCN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
|
|
chemicalCompound:molecularF... |
C17 H19 N3
|
|
chemicalCompound:moleculeId |
134241
|
|
chemicalCompound:mwFreebase |
265.353
|
|
chemicalCompound:alogp |
3.677
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
19.37
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.368
|
|
chemicalCompound:acdLogD |
1.092
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
265.353
|
|
chemicalCompound:acdMostBpk... |
9.968
|
|
chemicalCompound:chemblId |
CHEMBL81880
|
|
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:prefName |
ACRIDINE ORANGE
|
|
chemicalCompound:activity |
activity:225146,
activity:225147,
activity:225148,
activity:225149,
activity:225150,
activity:699108,
activity:699109,
activity:699110,
activity:2021300,
activity:3494947,
activity:3494959,
activity:3494971,
activity:3494983,
activity:3494995,
activity:3495007,
activity:3495019,
activity:3495031,
activity:3495043,
activity:3495055,
activity:3542430,
activity:3542441,
activity:3542451,
activity:3542462,
activity:3542473,
activity:3542484,
activity:3542494,
activity:3549559,
activity:3549560,
activity:3549561,
activity:3549562,
activity:3549563,
activity:3549564,
activity:3549565,
activity:5228134,
activity:5228135,
activity:5228136,
activity:5228137,
activity:5228138,
activity:5228139,
activity:5228140,
activity:8228731,
activity:8234789,
activity:8351432,
activity:8379442,
activity:8420758,
activity:8458923,
activity:8500760,
activity:8547859,
activity:8559380,
activity:8617329,
activity:8624437,
activity:8683144,
activity:8707044,
activity:8729373,
activity:8740542,
activity:8837583,
activity:8877713,
activity:8938163,
activity:8941463,
activity:8983054,
activity:9041637,
activity:9076054,
activity:9091748,
activity:9138211,
activity:9158286
|
