|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H20N2O/c1-3-7-15(8-4-1)13-19-12-11-18-17(19)20-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
|
|
chemicalCompound:standardIn... |
WFGMVJBYUYKXKC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C(OC1NCCN1Cc2ccccc2)c3ccccc3
|
|
chemicalCompound:molecularF... |
C17H20N2O
|
|
chemicalCompound:moleculeId |
1305946
|
|
chemicalCompound:mwFreebase |
268.353
|
|
chemicalCompound:alogp |
3.551
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
24.5
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.475
|
|
chemicalCompound:acdLogD |
4.088
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
268.353
|
|
chemicalCompound:acdMostBpk... |
7.798
|
|
chemicalCompound:chemblId |
CHEMBL1984655
|
|
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:8226762,
activity:8291754,
activity:8338853,
activity:8375653,
activity:8412773,
activity:8466194,
activity:8508239,
activity:8526147,
activity:8555350,
activity:8600313,
activity:8602755,
activity:8699053,
activity:8787944,
activity:8794184,
activity:8815903,
activity:8817791,
activity:8869615,
activity:8938546,
activity:8983930,
activity:8999886,
activity:9028741,
activity:9123197,
activity:9143056,
activity:9154420,
activity:9196890,
activity:9238567,
activity:9323049,
activity:9333581,
activity:9372860,
activity:9387948,
activity:9467297,
activity:9533681,
activity:9568519,
activity:9634682,
activity:9762364,
activity:9806480,
activity:9900307,
activity:9938303,
activity:9971771,
activity:9988973,
activity:10000161,
activity:10112769,
activity:10141011,
activity:10178868,
activity:10196439,
activity:10221131,
activity:10286844,
activity:10306275,
activity:10339884,
activity:10376713,
activity:10459087,
activity:10488124,
activity:10539373,
activity:10554692,
activity:10619180,
activity:10717387,
activity:10741786,
activity:10755850,
activity:10792618
|
