|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H24N2O2/c1-3-21(4-2)13-14-24-18-11-9-17(10-12-18)22-15-16-7-5-6-8-19(16)20(22)23/h5-12H,3-4,13-15H2,1-2H3
|
|
chemicalCompound:standardIn... |
FOWLVLBCUKWFSZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN(CC)CCOc1ccc(cc1)N2Cc3ccccc3C2=O
|
|
chemicalCompound:molecularF... |
C20H24N2O2
|
|
chemicalCompound:moleculeId |
1286502
|
|
chemicalCompound:mwFreebase |
324.417
|
|
chemicalCompound:alogp |
3.394
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
32.78
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.814
|
|
chemicalCompound:acdLogD |
0.652
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
324.417
|
|
chemicalCompound:acdMostBpk... |
9.624
|
|
chemicalCompound:chemblId |
CHEMBL1965211
|
|
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:8265398,
activity:8284999,
activity:8334919,
activity:8354385,
activity:8393683,
activity:8435159,
activity:8455583,
activity:8475317,
activity:8540170,
activity:8560055,
activity:8636653,
activity:8692415,
activity:8721308,
activity:8736714,
activity:8739258,
activity:8829733,
activity:8840706,
activity:8892314,
activity:8939069,
activity:8951591,
activity:9006362,
activity:9047928,
activity:9132464,
activity:9138925,
activity:9224060,
activity:9271798,
activity:9325200,
activity:9328684,
activity:9405940,
activity:9473992,
activity:9485162,
activity:9567133,
activity:9657977,
activity:9745163,
activity:9747065,
activity:9829974,
activity:9856580,
activity:9897992,
activity:9928175,
activity:9960711,
activity:10002575,
activity:10013913,
activity:10050460,
activity:10130720,
activity:10137011,
activity:10214515,
activity:10252359,
activity:10291377,
activity:10319922,
activity:10333410,
activity:10408208,
activity:10449041,
activity:10528974,
activity:10561036,
activity:10637005,
activity:10656090,
activity:10689315,
activity:10743987,
activity:10758248
|
