|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C39H36P2.BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;/h1-18,20-31H,19,32-33H2;1H/q+2;/p-1
|
|
chemicalCompound:standardIn... |
RJUVVNLKTAWSCY-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6
|
|
chemicalCompound:molecularF... |
C39H36BrP2
|
|
chemicalCompound:moleculeId |
1298266
|
|
chemicalCompound:mwFreebase |
566.651
|
|
chemicalCompound:alogp |
10.159
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
10
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:fullMwt |
646.555
|
|
chemicalCompound:chemblId |
CHEMBL1976975
|
|
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:8286311,
activity:8337926,
activity:8403293,
activity:8436669,
activity:8445602,
activity:8487540,
activity:8534351,
activity:8603841,
activity:8610928,
activity:8674089,
activity:8693758,
activity:8787146,
activity:8823956,
activity:8931498,
activity:8965501,
activity:8998928,
activity:9028058,
activity:9074656,
activity:9082721,
activity:9124895,
activity:9213644,
activity:9216502,
activity:9246621,
activity:9253675,
activity:9317717,
activity:9358808,
activity:9382881,
activity:9389627,
activity:9462200,
activity:9468908,
activity:9748436,
activity:9755320,
activity:9777366,
activity:9810003,
activity:9857950,
activity:9966398,
activity:9995011,
activity:10071242,
activity:10087480,
activity:10138271,
activity:10178010,
activity:10215819,
activity:10305562,
activity:10339171,
activity:10362707,
activity:10405828,
activity:10475683,
activity:10478507,
activity:10530254,
activity:10542702,
activity:10549680,
activity:10627253,
activity:10707679,
activity:10732360,
activity:10759516,
activity:10800390,
activity:10825043
|
