|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
|
|
chemicalCompound:standardIn... |
QZVCTJOXCFMACW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(COc1ccccc1)N(CCCl)Cc2ccccc2
|
|
chemicalCompound:molecularF... |
C18H22ClNO
|
|
chemicalCompound:moleculeId |
41434
|
|
chemicalCompound:mwFreebase |
303.826
|
|
chemicalCompound:alogp |
4.578
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.47
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.686
|
|
chemicalCompound:acdLogD |
3.625
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.826
|
|
chemicalCompound:acdMostBpk... |
6.582
|
|
chemicalCompound:chemblId |
CHEMBL753
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PHENOXYBENZAMINE
|
|
chemicalCompound:activity |
activity:356840,
activity:356841,
activity:555846,
activity:555847,
activity:2364149,
activity:2364296,
activity:2430543,
activity:3806880,
activity:3863672,
activity:3889966,
activity:4148755,
activity:5317721,
activity:5318672,
activity:5319623,
activity:5346290,
activity:5741465,
activity:5775967,
activity:5779098,
activity:6563639,
activity:6849994,
activity:7322173,
activity:7551194,
activity:7829172,
activity:7836353,
activity:7836354,
activity:7836355,
activity:7836356,
activity:7836357,
activity:7836358,
activity:7836359,
activity:7836360,
activity:7836361,
activity:7836362,
activity:7836363,
activity:7836364,
activity:7836365,
activity:7836366,
activity:9338217,
activity:10080569
|
