| Pubchem ID | 135330236 |
|---|---|
| CAS | 9005-42-9 |
| IUPAC name | [4-[[4-(5-methoxy-6-methylpyridin-2-yl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-methoxyazetidine-1-carboxylate |
| Synonyms | - |
| Categories | Not Categorized |
| SMILES | CC1=C(C=CC(=N1)C2CCC(CC2)CN(C3=CC=CC(=C3)C4=CN(N=C4)C(C)C)C(=O)C5CCC(CC5)OC(=O)N6CC(C6)OC)OC |
| InCheykey | InChI=1S/C38H51N5O5/c1-25(2)43-22-31(20-39-43)30-7-6-8-32(19-30)42(21-27-9-11-28(12-10-27)35-17-18-36(47-5)26(3)40-35)37(44)29-13-15-33(16-14-29)48-38(45)41-23-34(24-41)46-4/h6-8,17-20,22,25,27-29,33- 34H,9-16,21,23-24H2,1-5H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 657.856 | 0 | 7 | 11 | 99.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low Absorption | Low Solubility | Binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |