|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3
|
|
chemicalCompound:standardIn... |
VOKSWYLNZZRQPF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C
|
|
chemicalCompound:molecularF... |
C19 H27 N O
|
|
chemicalCompound:moleculeId |
165474
|
|
chemicalCompound:mwFreebase |
285.424
|
|
chemicalCompound:alogp |
4.373
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
23.47
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.102
|
|
chemicalCompound:acdLogP |
4.147
|
|
chemicalCompound:acdLogD |
2.606
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
285.424
|
|
chemicalCompound:acdMostBpk... |
8.944
|
|
chemicalCompound:chemblId |
CHEMBL100116
|
|
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:prefName |
PENTAZOCINE
|
|
chemicalCompound:activity |
activity:79747,
activity:79748,
activity:175053,
activity:175054,
activity:175055,
activity:175056,
activity:222343,
activity:222344,
activity:222345,
activity:247379,
activity:247380,
activity:247381,
activity:323716,
activity:323717,
activity:402402,
activity:402403,
activity:402404,
activity:402405,
activity:402406,
activity:423930,
activity:423931,
activity:423932,
activity:423933,
activity:423934,
activity:423935,
activity:423936,
activity:423937,
activity:423938,
activity:423939,
activity:423940,
activity:423941,
activity:423942,
activity:464140,
activity:464141,
activity:572813,
activity:572814,
activity:572815,
activity:572816,
activity:572817,
activity:728877,
activity:769839,
activity:769840,
activity:769841,
activity:838279,
activity:838280,
activity:852476,
activity:852477,
activity:871612,
activity:871613,
activity:871614,
activity:918593,
activity:918594,
activity:1076438,
activity:1157299,
activity:1157300,
activity:1157301,
activity:1157302,
activity:1157303,
activity:1199400,
activity:1199401,
activity:1199402
|
