|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:30180_Alexitol sodium_OTHER,
synonym:30180_D-Mannitol_JAN,
synonym:30180_Diosmol_TRADE_NAME,
synonym:30180_Manna Sugar_OTHER,
synonym:30180_Mannite_OTHER,
synonym:30180_Mannite_TRADE_NAME,
synonym:30180_Mannitol_FDA_ALTERNATIVE_NAME,
synonym:30180_Mannitol_TRADE_NAME,
synonym:30180_Mannitol_USAN,
synonym:30180_Mannitol_USP,
synonym:30180_Osmitrol_TRADE_NAME,
synonym:30180_Resectisol_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
|
|
chemicalCompound:standardIn... |
FBPFZTCFMRRESA-KVTDHHQDSA-N
|
|
chemicalCompound:canonicalS... |
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
|
|
chemicalCompound:molecularF... |
C6H14O6
|
|
chemicalCompound:moleculeId |
30180
|
|
chemicalCompound:mwFreebase |
182.172
|
|
chemicalCompound:alogp |
-2.941
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
6
|
|
chemicalCompound:psa |
121.38
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.135
|
|
chemicalCompound:acdLogP |
-3.262
|
|
chemicalCompound:acdLogD |
-3.262
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
182.172
|
|
chemicalCompound:chemblId |
CHEMBL689
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
MANNITOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:98722,
activity:98723,
activity:98724,
activity:98725,
activity:180109,
activity:180110,
activity:231789,
activity:231790,
activity:231791,
activity:231792,
activity:231793,
activity:231794,
activity:231795,
activity:294734,
activity:341351,
activity:417641,
activity:444507,
activity:664389,
activity:704561,
activity:704562,
activity:704563,
activity:797770,
activity:922060,
activity:922061,
activity:922062,
activity:922063,
activity:922064,
activity:922065,
activity:922066,
activity:922067,
activity:922068,
activity:922069,
activity:922070,
activity:922071,
activity:922072,
activity:922073,
activity:922074,
activity:922075,
activity:922076,
activity:1020331,
activity:1075431,
activity:1075432,
activity:1079566,
activity:1112540,
activity:1112541,
activity:1112542,
activity:1216320,
activity:1216321,
activity:1216322,
activity:1406398,
activity:1406399,
activity:1406400,
activity:1406401
|
