| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 11 | Yes |
Popular Name: 2-(3-chlorophenyl)ethanimidamide 2-(3-chlorophenyl)ethanimidamide
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CAS Numbers: 55154-89-7 , 6487-96-3 , [6487-96-3]
2-(3-Chloro-phenyl)-acetamidine; hydrochloride
2-(3-chlorophenyl)-acetamidine hydrochloride
2-(3-Chlorophenyl)acetamidine HCl
2-(3-Chlorophenyl)acetimidamide hydrochloride
2-(3-Chlorophenyl)ethanimidamide hydrochloride
2-(3-chlorophenyl)ethanimidamidehydrochloride
3-Chlorophenylacetamidine hydrochloride
benzeneethanimidamide, 3-chloro-, monohydrochloride
| 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) | 1.86 | 3.59 | -34.03 | 4 | 2 | 1 | 52 | 169.635 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A-4-E | Serotonin 3a (5-HT3a) Receptor (cluster #4 Of 5), Eukaryotic | Eukaryotes | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3B-2-E | Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3C-2-E | Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3D-2-E | Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3E-2-E | Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.75 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 1200 | 0.75 | Binding ≤ 10μM |
| 5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 1200 | 0.75 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ligand-gated ion channel transport |
No pre-computed analogs available. Try a structural similarity search.