Drug Name |
S-777469
|
Indication |
Disease Entry |
ICD 11 |
Status |
REF |
Atopic dermatitis |
EA80
|
Phase 2 |
[1] |
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
414.5 |
|
Logarithm of the Partition Coefficient (xlogp) |
3.4 |
Rotatable Bond Count (rotbonds) |
6 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C23H27FN2O4
- IUPAC Name
1-[[6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
- Canonical SMILES
-
CCC1=C(C=C(C(=O)N1CC2=CC=C(C=C2)F)C(=O)NC3(CCCCC3)C(=O)O)C
- InChI
-
InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)
- InChIKey
-
JIYXOJFSPOFZPY-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 57331749
- CAS Number
-
- DrugBank ID
-
- TTD ID
- D0J6KZ
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