|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C38H34P2.BrH/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;/h1-30H,31-32H2;1H/q+2;/p-1
|
|
chemicalCompound:standardIn... |
CHRKHMGMGKEAAN-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6
|
|
chemicalCompound:molecularF... |
C38H34BrP2
|
|
chemicalCompound:moleculeId |
1300861
|
|
chemicalCompound:mwFreebase |
552.624
|
|
chemicalCompound:alogp |
10.096
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
9
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:fullMwt |
632.528
|
|
chemicalCompound:chemblId |
CHEMBL1979570
|
|
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:8255867,
activity:8292858,
activity:8306957,
activity:8377116,
activity:8410556,
activity:8447901,
activity:8481309,
activity:8555105,
activity:8566415,
activity:8644599,
activity:8647142,
activity:8663459,
activity:8700980,
activity:8756366,
activity:8853548,
activity:8860575,
activity:8904995,
activity:8933992,
activity:8968397,
activity:9010072,
activity:9064482,
activity:9105180,
activity:9142855,
activity:9165000,
activity:9189910,
activity:9227659,
activity:9277963,
activity:9357734,
activity:9425419,
activity:9427259,
activity:9501820,
activity:9506370,
activity:9570550,
activity:9676273,
activity:9722377,
activity:9776520,
activity:9807433,
activity:9864677,
activity:9936169,
activity:9973040,
activity:9984468,
activity:10035009,
activity:10108322,
activity:10145067,
activity:10147591,
activity:10235652,
activity:10256011,
activity:10275535,
activity:10286482,
activity:10341320,
activity:10383270,
activity:10463065,
activity:10504265,
activity:10522762,
activity:10588510,
activity:10661973,
activity:10681663,
activity:10706141,
activity:10766123,
activity:10803335
|
