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| Stem definition | Drug id | CAS RN |
|
378 |
2667-89-2 |
Description:
| Molecule | Description |
|---|
Molfile
Inchi
Smiles
Synonyms:
|
- Molecular weight: 770.92
- Formula: C38H42N8O6S2
- CLOGP: 3.16
- LIPINSKI: 2
- HAC: 14
- HDO: 2
- TPSA: 196.82
- ALOGS: -5.16
- ROTB: 19
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
| pfas-class |
PFAS structural alert (1 = True, 0 = False) |
0 |
|
|
|
Approvals:
None
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
None
None
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
| pKa1 |
7.67 |
Basic |
| pKa2 |
7.07 |
Basic |
| pKa3 |
1.26 |
Basic |
| pKa4 |
0.66 |
Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
None
External reference:
Pharmaceutical products:
None