|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
|
|
chemicalCompound:standardIn... |
JCKYGMPEJWAADB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl
|
|
chemicalCompound:molecularF... |
C14H19Cl2NO2
|
|
chemicalCompound:moleculeId |
11002
|
|
chemicalCompound:mwFreebase |
304.212
|
|
chemicalCompound:alogp |
3.899
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
40.54
|
|
chemicalCompound:rtb |
9
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.821
|
|
chemicalCompound:acdLogP |
2.609
|
|
chemicalCompound:acdLogD |
0.06
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
304.212
|
|
chemicalCompound:acdMostBpk... |
4.622
|
|
chemicalCompound:chemblId |
CHEMBL515
|
|
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 |
CHLORAMBUCIL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:117955,
activity:144592,
activity:144593,
activity:144594,
activity:144595,
activity:144596,
activity:251963,
activity:267678,
activity:328377,
activity:328378,
activity:328379,
activity:328380,
activity:328381,
activity:328382,
activity:328383,
activity:328384,
activity:328385,
activity:328386,
activity:328387,
activity:385818,
activity:385819,
activity:385820,
activity:428548,
activity:428549,
activity:449168,
activity:449169,
activity:449170,
activity:449171,
activity:496493,
activity:496494,
activity:496495,
activity:496496,
activity:634689,
activity:634690,
activity:634691,
activity:634692,
activity:634693,
activity:634694,
activity:634695,
activity:639542,
activity:639543,
activity:718570,
activity:718571,
activity:718572,
activity:718573,
activity:718574,
activity:718575,
activity:718576,
activity:718577,
activity:718578,
activity:718579,
activity:718580,
activity:748281,
activity:748282,
activity:748283,
activity:748284,
activity:756911
|
