|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H22ClNO.ClH/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;1H
|
|
chemicalCompound:standardIn... |
VBCPVIWPDJVHAN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CC(COc1ccccc1)N(CCCl)Cc2ccccc2
|
|
chemicalCompound:molecularF... |
C18H23Cl2NO
|
|
chemicalCompound:moleculeId |
674738
|
|
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 |
340.287
|
|
chemicalCompound:acdMostBpk... |
6.582
|
|
chemicalCompound:chemblId |
CHEMBL1200787
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 CHLORIDE
|
|
chemicalCompound:activity |
activity:3472778,
activity:3490238,
activity:3490239,
activity:3490240,
activity:3490241,
activity:3490242,
activity:3607867,
activity:3626725,
activity:3636011,
activity:3657070,
activity:3657920,
activity:3695122,
activity:3698359,
activity:3716251,
activity:3764913,
activity:3769446,
activity:3772640,
activity:3774699,
activity:3778038,
activity:3778809,
activity:3870221,
activity:3894515,
activity:3903927,
activity:3918975,
activity:3919609,
activity:3941790,
activity:3942269,
activity:3951251,
activity:3987987,
activity:4084678,
activity:4106284,
activity:4119791,
activity:4129595,
activity:4144488,
activity:4193770,
activity:4278457,
activity:4291363,
activity:4305635,
activity:4405239,
activity:4445492,
activity:4469685,
activity:4518631,
activity:4535772,
activity:4538152,
activity:4559176,
activity:4617380,
activity:4648087,
activity:4670665,
activity:4713991,
activity:4745545,
activity:4820882,
activity:4855861,
activity:4863807,
activity:4872760,
activity:4879725,
activity:4892526,
activity:4901514,
activity:4901995,
activity:4916465,
activity:4944557,
activity:4966322,
activity:4976401,
activity:4980546
|
