Drug Name |
A-93178
|
Synonyms |
A-93178.5 |
Indication |
Disease Entry |
ICD 11 |
Status |
REF |
Allergy |
4A80-4A85
|
Terminated |
[1] |
------------------------------------------------------------------------------------ |
|
|
|
|
Structure |
|
|
3D MOL
|
2D MOL
|
#Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
432.5 |
|
Logarithm of the Partition Coefficient (xlogp) |
5.9 |
Rotatable Bond Count (rotbonds) |
8 |
Hydrogen Bond Donor Count (hbonddonor) |
1 |
Hydrogen Bond Acceptor Count (hbondacc) |
6 |
Chemical Identifiers |
- Formula
- C26H28N2O4
- IUPAC Name
(2Z)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid
- Canonical SMILES
-
C/C(=N/OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)O
- InChI
-
InChI=1S/C26H28N2O4/c1-18(26(29)30)28-32-25(20-8-3-2-4-9-20)21-12-15-23(16-13-21)31-17-22-14-11-19-7-5-6-10-24(19)27-22/h5-7,10-16,20,25H,2-4,8-9,17H2,1H3,(H,29,30)/b28-18-
- InChIKey
-
USBHSZPRMPADOE-VEILYXNESA-N
|
Cross-matching ID |
- PubChem CID
- 101018054
- TTD ID
- D0IL8R
|
|
|
|
|
|
|
|