|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
|
|
chemicalCompound:standardIn... |
DOMXUEMWDBAQBQ-WEVVVXLNSA-N
|
|
chemicalCompound:canonicalS... |
CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
|
|
chemicalCompound:molecularF... |
C21H25N
|
|
chemicalCompound:moleculeId |
56831
|
|
chemicalCompound:mwFreebase |
291.43
|
|
chemicalCompound:alogp |
5.335
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
3.24
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.584
|
|
chemicalCompound:acdLogD |
5.46
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
291.43
|
|
chemicalCompound:acdMostBpk... |
6.917
|
|
chemicalCompound:chemblId |
CHEMBL822
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
TERBINAFINE
|
|
chemicalCompound:firstAppro... |
1991
|
|
chemicalCompound:activity |
activity:32531,
activity:312988,
activity:312989,
activity:312990,
activity:312991,
activity:312992,
activity:312993,
activity:312994,
activity:420147,
activity:420148,
activity:420149,
activity:420150,
activity:420151,
activity:420152,
activity:420153,
activity:794191,
activity:794192,
activity:794193,
activity:794194,
activity:794195,
activity:794196,
activity:843064,
activity:843065,
activity:843066,
activity:843067,
activity:843068,
activity:843069,
activity:843070,
activity:843071,
activity:843072,
activity:882113,
activity:882114,
activity:882115,
activity:882116,
activity:932641,
activity:932642,
activity:932643,
activity:932644,
activity:932645,
activity:932646,
activity:932647,
activity:932648,
activity:932649,
activity:932650,
activity:932651,
activity:932652,
activity:932653,
activity:932654,
activity:932655,
activity:932656,
activity:1057060,
activity:1057061,
activity:1057062,
activity:1057063,
activity:1057064,
activity:1057065,
activity:1057066
|
