|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
|
|
chemicalCompound:standardIn... |
GQYIWUVLTXOXAJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClCCN(N=O)C(=O)NC1CCCCC1
|
|
chemicalCompound:molecularF... |
C9H16ClN3O2
|
|
chemicalCompound:moleculeId |
10898
|
|
chemicalCompound:mwFreebase |
233.695
|
|
chemicalCompound:alogp |
2.394
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
61.77
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.883
|
|
chemicalCompound:acdLogP |
2.722
|
|
chemicalCompound:acdLogD |
2.721
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
233.695
|
|
chemicalCompound:chemblId |
CHEMBL514
|
|
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... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
LOMUSTINE
|
|
chemicalCompound:activity |
activity:106229,
activity:106230,
activity:106231,
activity:149505,
activity:149506,
activity:539567,
activity:679485,
activity:679486,
activity:679487,
activity:679488,
activity:679489,
activity:679490,
activity:679491,
activity:679492,
activity:679493,
activity:679494,
activity:679495,
activity:679496,
activity:679497,
activity:679498,
activity:679499,
activity:679500,
activity:679501,
activity:679502,
activity:679503,
activity:679504,
activity:679505,
activity:679506,
activity:679507,
activity:679508,
activity:679509,
activity:679510,
activity:679511,
activity:679512,
activity:679513,
activity:679514,
activity:887485,
activity:887486,
activity:887487,
activity:905597,
activity:905598,
activity:905599,
activity:905600,
activity:905601,
activity:905602,
activity:905603,
activity:905604,
activity:905605,
activity:905606,
activity:905607,
activity:905608,
activity:905609,
activity:905610,
activity:905611,
activity:905612,
activity:905613,
activity:905614,
activity:924714,
activity:924715,
activity:924716
|
