|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
|
|
chemicalCompound:standardIn... |
BTFHLQRNAMSNLC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(CCCOc1ccc(Cl)cc1Cl)CC#C
|
|
chemicalCompound:molecularF... |
C13H15Cl2NO
|
|
chemicalCompound:moleculeId |
4381
|
|
chemicalCompound:mwFreebase |
272.17
|
|
chemicalCompound:alogp |
4.535
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.47
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.646
|
|
chemicalCompound:acdLogD |
3.507
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
272.17
|
|
chemicalCompound:acdMostBpk... |
6.978
|
|
chemicalCompound:chemblId |
CHEMBL8706
|
|
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 |
CLORGYLINE
|
|
chemicalCompound:activity |
activity:511497,
activity:511498,
activity:511499,
activity:904276,
activity:904277,
activity:904278,
activity:904279,
activity:904280,
activity:904281,
activity:904282,
activity:904283,
activity:904284,
activity:1819246,
activity:1819291,
activity:1819347,
activity:1888184,
activity:1888198,
activity:2224383,
activity:2224397,
activity:2244672,
activity:2391005,
activity:2391723,
activity:2391755,
activity:2391787,
activity:2411326,
activity:2411380,
activity:2411470,
activity:2473503,
activity:2474228,
activity:2474248,
activity:2509623,
activity:2509648,
activity:2509667,
activity:2509669,
activity:2573376,
activity:2583112,
activity:2583140,
activity:2592039,
activity:2592063,
activity:2592788,
activity:2593478,
activity:3099599,
activity:3099600,
activity:3100868,
activity:3209108,
activity:3209134,
activity:3209164,
activity:3292401,
activity:3292409,
activity:3292415,
activity:3407036,
activity:3407041,
activity:3407042,
activity:3433908,
activity:3433949,
activity:3433991,
activity:3470684,
activity:3470746,
activity:3470842,
activity:3471236,
activity:3471250,
activity:3471304,
activity:3513488,
activity:3514594,
activity:3514628
|
