| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2004 | 22 | Yes |
Popular Name: 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-[(4-chlorobenzoyl)amino]-4,5,6…
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CAS Number: 60442-52-6
2-(4-Chloro-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide
benzo[b]thiophene-3-carboxamide, 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-
| 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) | 3.21 | -3.64 | -10.57 | 3 | 4 | 0 | 72 | 334.828 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 310 | 0.41 | Binding ≤ 10μM |
| Z100405-1-O | MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other | Other | 1400 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 310 | 0.41 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 310 | 0.41 | Binding ≤ 10μM |
| Z100405 | Z100405 | MV4-11 (Myeloid Leukemia Cells) | 1400 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.