|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
|
|
chemicalCompound:standardIn... |
BALXUFOVQVENIU-KXNXZCPBSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN[C@@H](C)[C@@H](O)c1ccccc1
|
|
chemicalCompound:molecularF... |
C10H16ClNO
|
|
chemicalCompound:moleculeId |
674675
|
|
chemicalCompound:mwFreebase |
165.232
|
|
chemicalCompound:alogp |
1.234
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
32.26
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.96
|
|
chemicalCompound:acdLogP |
1.079
|
|
chemicalCompound:acdLogD |
-0.933
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
201.693
|
|
chemicalCompound:acdMostBpk... |
9.378
|
|
chemicalCompound:chemblId |
CHEMBL1200724
|
|
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 |
PSEUDOEPHEDRINE HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:5316167,
activity:5316744,
activity:7839453,
activity:8236005,
activity:8325522,
activity:8349867,
activity:8399806,
activity:8433208,
activity:8444099,
activity:8490830,
activity:8528508,
activity:8580328,
activity:8585121,
activity:8587070,
activity:8686085,
activity:8774724,
activity:8802414,
activity:8804526,
activity:8907429,
activity:8927929,
activity:8970984,
activity:8986821,
activity:9011207,
activity:9101319,
activity:9108078,
activity:9183646,
activity:9212980,
activity:9291562,
activity:9309991,
activity:9320612,
activity:9370681,
activity:9443189,
activity:9454424,
activity:9517481,
activity:9685454,
activity:9749471,
activity:9777079,
activity:9816390,
activity:9891520,
activity:9925368,
activity:9958833,
activity:9978771,
activity:10028676,
activity:10082578,
activity:10176524,
activity:10249668,
activity:10284936,
activity:10326078,
activity:10368030,
activity:10409693,
activity:10429269,
activity:10479648,
activity:10542163,
activity:10594980,
activity:10671090,
activity:10708605,
activity:10728796
|
