|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
|
|
chemicalCompound:standardIn... |
KFZMGEQAYNKOFK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)O
|
|
chemicalCompound:molecularF... |
C3H8O
|
|
chemicalCompound:moleculeId |
17025
|
|
chemicalCompound:mwFreebase |
60.095
|
|
chemicalCompound:alogp |
0.368
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.173
|
|
chemicalCompound:acdLogD |
0.173
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
60.095
|
|
chemicalCompound:chemblId |
CHEMBL582
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ISOPROPYL ALCOHOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2000
|
|
chemicalCompound:activity |
activity:288545,
activity:428205,
activity:994108,
activity:994109,
activity:994110,
activity:994111,
activity:994112,
activity:1255646,
activity:1506185,
activity:2385259,
activity:3624351,
activity:4122825,
activity:5317766,
activity:5318717,
activity:5319668,
activity:6260337,
activity:6260381,
activity:6260425,
activity:6958579,
activity:7011335
|
