|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
|
|
chemicalCompound:standardIn... |
CYXKNKQEMFBLER-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3
|
|
chemicalCompound:molecularF... |
C19H35N
|
|
chemicalCompound:moleculeId |
119288
|
|
chemicalCompound:mwFreebase |
277.488
|
|
chemicalCompound:alogp |
5.72
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
12.03
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.465
|
|
chemicalCompound:acdLogD |
3.656
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
277.488
|
|
chemicalCompound:acdMostBpk... |
10.518
|
|
chemicalCompound:chemblId |
CHEMBL75880
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PERHEXILINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:325571,
activity:971044,
activity:1033548,
activity:1150858,
activity:1150859,
activity:1150860,
activity:1429842,
activity:2062799,
activity:2358286,
activity:2645534,
activity:2645571,
activity:5083609,
activity:5083642,
activity:5083789,
activity:5083790,
activity:5083791,
activity:5218913,
activity:5315815,
activity:5316384,
activity:5316395,
activity:5316721,
activity:5329069,
activity:6074441,
activity:7730009,
activity:7730010,
activity:7730011,
activity:7730012,
activity:7730013,
activity:7730014,
activity:7730015,
activity:7730016,
activity:7730017,
activity:7730018,
activity:7730019,
activity:7730020,
activity:7730021,
activity:7730022,
activity:7730023,
activity:7730024,
activity:7730025,
activity:7730026,
activity:7730027,
activity:7730028,
activity:7730029,
activity:7730030,
activity:7730031,
activity:7730032,
activity:7730033,
activity:7730034,
activity:7730035,
activity:7730036,
activity:7730037,
activity:7730038,
activity:7730039,
activity:7730040,
activity:7730041,
activity:7730042,
activity:7730043,
activity:7730044,
activity:7730045,
activity:7730046,
activity:7730047,
activity:7730048,
activity:7730049
|
