In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2005 | 16 | No |
Popular Name: 4-Chloro-N,N-dimethyl-3-nitro-benzenesulfonamide 4-Chloro-N,N-dimethyl-3-nitro-be…
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CAS Number: 137-47-3
2-NITROCHLOROBENZENE-4- -SULPHONAMIDE
4-Chloro-n,n'-dimethyl-3-nitro-benzene sulfonamide
4-chloro-N,N-dimethyl-3-nitrobenzene-1-sulfonamide
4-Chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
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) | 1.82 | 3.53 | -11.38 | 0 | 6 | 0 | 83 | 264.69 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 104 - 106 | Enamine Building Blocks |
MP | 104...106 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
VCAM1-1-E | Vascular Cell Adhesion Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.44 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
VCAM1_HUMAN | P19320 | Vascular Cell Adhesion Protein 1, Human | 10000 | 0.44 | Binding ≤ 10μM |
Description | Species |
---|---|
Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |
Integrin cell surface interactions | |
Interferon gamma signaling |