|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H
|
|
chemicalCompound:standardIn... |
QZIQJVCYUQZDIR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(CCCl)CCCl
|
|
chemicalCompound:molecularF... |
C5H12Cl3N
|
|
chemicalCompound:moleculeId |
674952
|
|
chemicalCompound:mwFreebase |
156.054
|
|
chemicalCompound:alogp |
1.65
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
3.24
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.91
|
|
chemicalCompound:acdLogD |
0.869
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
192.514
|
|
chemicalCompound:acdMostBpk... |
6.4
|
|
chemicalCompound:chemblId |
CHEMBL1201001
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CHLORMETHINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3607749,
activity:3655671,
activity:3658610,
activity:3698497,
activity:3754904,
activity:3765298,
activity:3768749,
activity:3773637,
activity:3775659,
activity:3777951,
activity:3778976,
activity:3894655,
activity:3902938,
activity:3904837,
activity:3919783,
activity:3938393,
activity:3950144,
activity:3951409,
activity:4057303,
activity:4078818,
activity:4103907,
activity:4106459,
activity:4291534,
activity:4371346,
activity:4537524,
activity:4587283,
activity:4674529,
activity:4707408,
activity:4717925,
activity:4723563,
activity:4749411,
activity:4783719,
activity:4822826,
activity:4838561,
activity:4868948,
activity:4872740,
activity:4876685,
activity:4896485,
activity:4902144,
activity:4905425,
activity:4972201,
activity:4976576,
activity:4984513,
activity:5019662,
activity:5022765,
activity:5069070,
activity:5078299,
activity:6447000,
activity:6581045,
activity:6693225,
activity:6742974,
activity:6754313,
activity:6958498,
activity:7063016,
activity:7464475,
activity:8230417,
activity:8277837,
activity:8329245,
activity:8398996,
activity:8432402,
activity:8474390
|
