|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-18H,1H3;1H/q+1;/p-1/b18-2+;
|
|
chemicalCompound:standardIn... |
DEQBDPCMPVARSX-QMUAEARGSA-M
|
|
chemicalCompound:canonicalS... |
[Br-].C\C=C\[P+](c1ccccc1)(c2ccccc2)c3ccccc3
|
|
chemicalCompound:molecularF... |
C21H20BrP
|
|
chemicalCompound:moleculeId |
1314876
|
|
chemicalCompound:mwFreebase |
303.357
|
|
chemicalCompound:alogp |
5.625
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:fullMwt |
383.261
|
|
chemicalCompound:chemblId |
CHEMBL1993585
|
|
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:8250319,
activity:8288504,
activity:8299809,
activity:8314776,
activity:8405070,
activity:8478007,
activity:8498093,
activity:8511353,
activity:8576734,
activity:8588154,
activity:8643741,
activity:8657791,
activity:8660494,
activity:8768491,
activity:8775582,
activity:8800676,
activity:8807634,
activity:8899517,
activity:8928986,
activity:8967398,
activity:9021532,
activity:9072250,
activity:9097635,
activity:9144032,
activity:9184384,
activity:9292458,
activity:9294335,
activity:9360905,
activity:9430563,
activity:9433185,
activity:9439689,
activity:9442302,
activity:9538820,
activity:9683701,
activity:9716861,
activity:9763386,
activity:9788042,
activity:9863592,
activity:9892603,
activity:9930639,
activity:9963995,
activity:9985432,
activity:9996762,
activity:10081188,
activity:10168444,
activity:10170808,
activity:10200025,
activity:10254814,
activity:10302914,
activity:10331296,
activity:10373382,
activity:10419761,
activity:10443017,
activity:10498767,
activity:10591686,
activity:10607327,
activity:10613473,
activity:10700781,
activity:10782442,
activity:10797888
|
