ID: | M029 | |
---|---|---|
Name: | Chlorpromazine | |
Description: | ||
Labels: | ||
CAS: | 50-53-3 | |
InChi Code: | InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 |
Class_pH3: Class of membrane permeability at pH 3 i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
M1: Model at pH 3 with hydrophobicity descriptor (Validation set) |
L |
M7: Model at pH 3 with theoretical molecular descriptors (Validation set) |
Class_pH5: Class of membrane permeability at pH 5 i
Value | Source or prediction |
---|---|
L |
experimental value |
H |
M2: Model at pH 5 with hydrophobicity descriptor (Validation set) |
H |
M8: Model at pH 5 with theoretical molecular descriptors (Validation set) |
Class_pH7.4: Class of membrane permeability at pH 7.4 i
Value | Source or prediction |
---|---|
H |
experimental value |
H |
M3: Model at pH 7.4 with hydrophobicity descriptor (Training set) |
H |
M9: Model at pH 7.4 with theoretical molecular descriptors (Training set) |
Class_pH9: Class of membrane permeability at pH 9 i
Value | Source or prediction |
---|---|
H |
experimental value |
H |
M4: Model at pH 9 with hydrophobicity descriptor (Training set) |
H |
M10: Model at pH 9 with theoretical molecular descriptors (Training set) |
Class_highest: Class of highest membrane permeability for pH range 3 to 9 i
Value | Source or prediction |
---|---|
H |
experimental value |
H |
M5: Model for highest membrane permeability with hydrophobicity descriptor (Validation set) |
H |
M11: Model for highest membrane permeability with theoretical molecular descriptors (Validation set) |
Class_logPo: Class of intrinsic membrane permeability i
Value | Source or prediction |
---|---|
H |
experimental value |
H |
M6: Model for intrinsic membrane permeability (logPo) with hydrophobicity descriptor (Training set) |
H |
M12: Model for intrinsic membrane permeability (logPo) with theoretical molecular descriptors (Training set) |
Link | Resource description |
---|---|
DTXSID0022808 | US EPA CompTox Dashboard |