|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H
|
|
chemicalCompound:standardIn... |
ZPMVNZLARAEGHB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1
|
|
chemicalCompound:molecularF... |
C21H22ClN
|
|
chemicalCompound:moleculeId |
550917
|
|
chemicalCompound:mwFreebase |
287.398
|
|
chemicalCompound:alogp |
4.362
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
3.24
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.819
|
|
chemicalCompound:acdLogD |
4.271
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
323.859
|
|
chemicalCompound:acdMostBpk... |
8.947
|
|
chemicalCompound:chemblId |
CHEMBL1716
|
|
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 |
CYPROHEPTADINE HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:968527,
activity:968528,
activity:968529,
activity:3472833,
activity:3481294,
activity:3484634,
activity:3484720,
activity:3484806,
activity:3484865,
activity:3484953,
activity:3485739,
activity:3634979,
activity:3650904,
activity:3661618,
activity:3695266,
activity:3940523,
activity:3988935,
activity:4267291,
activity:4278626,
activity:4358435,
activity:4502546,
activity:4535933,
activity:4538281,
activity:4553730,
activity:4639535,
activity:4947170,
activity:4966460,
activity:5000823,
activity:5012277,
activity:5316481,
activity:5316580,
activity:5393848,
activity:5410905,
activity:5425497,
activity:5571016,
activity:5635891,
activity:5856593,
activity:5866954,
activity:5875881,
activity:6515706,
activity:7012640,
activity:7117456,
activity:7344193,
activity:7361185,
activity:7444056,
activity:7484703,
activity:7528819,
activity:7530627
|
