PKC-theta inhibitor 200mg
Chemical Information
| CAS Number | 736048-65-0 |
| PubChem CID | 10253430 |
| IUPAC Name | 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine |
| Molecular Formula | C20H25F3N6O3 |
| Molecular Weight | 454.4 |
| XLogP | 4.7 |
| Topological Polar Surface Area | 131 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 586 |
| Property | Value |
|---|---|
| Molecular Weight | 454.4 |
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 454.19402317 |
| Monoisotopic Mass | 454.19402317 |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 586 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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