| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 21 | Yes |
Popular Name: 4-(((1R,2S)-2-Cyanocyclohexyl)oxy)-2-(trifluoromethyl)benzonitrile 4-(((1R,2S)-2-Cyanocyclohexyl)ox…
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CAS Number: 956004-50-5
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.13 | 8.74 | -10.97 | 0 | 3 | 0 | 57 | 294.276 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-4-E | Androgen Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 58 | 0.48 | Binding ≤ 10μM |
| ANDR-4-E | Androgen Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 60 | 0.48 | Binding ≤ 10μM |
| ANDR-3-E | Androgen Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 12 | 0.53 | Functional ≤ 10μM |
| ANDR-3-E | Androgen Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 13 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 58 | 0.48 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 58 | 0.48 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 13 | 0.53 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
