|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
|
|
chemicalCompound:standardIn... |
HAWPXGHAZFHHAD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(CCCl)CCCl
|
|
chemicalCompound:molecularF... |
C5H11Cl2N
|
|
chemicalCompound:moleculeId |
1470
|
|
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 |
156.054
|
|
chemicalCompound:acdMostBpk... |
6.4
|
|
chemicalCompound:chemblId |
CHEMBL427
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
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 |
MECHLORETHAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:403417,
activity:403418,
activity:417029,
activity:417030,
activity:546564,
activity:546565,
activity:872092,
activity:872093,
activity:922860,
activity:922861,
activity:922862,
activity:922863,
activity:922864,
activity:922865,
activity:922866,
activity:922867,
activity:922868,
activity:922869,
activity:922870,
activity:973194,
activity:973195,
activity:1232272,
activity:1232273,
activity:1232274,
activity:1881014,
activity:1881036,
activity:2590757,
activity:2590804,
activity:2591008,
activity:2591037,
activity:2592818,
activity:3391540,
activity:3391541,
activity:3391542,
activity:3391543,
activity:3391544,
activity:3391545,
activity:3391546,
activity:3391547,
activity:3391548,
activity:3391549,
activity:3391550,
activity:3391551,
activity:3391552,
activity:3391553,
activity:3391554,
activity:3391555,
activity:3777050,
activity:4030831,
activity:4809881,
activity:6193709,
activity:6193711,
activity:7836325,
activity:7836326,
activity:7836327,
activity:7836328,
activity:7836329,
activity:7836330,
activity:7836331,
activity:7836332,
activity:7836333,
activity:7836334
|
