LTJ
4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
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as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries
Chemical Component Summary | |
|---|---|
| Name | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide |
| Identifiers | 4-[(3~{S})-3-[[(~{E})-but-2-enoyl]amino]piperidin-1-yl]-5-fluoranyl-2,3-dimethyl-1~{H}-indole-7-carboxamide |
| Formula | C20 H25 F N4 O2 |
| Molecular Weight | 372.437 |
| Type | NON-POLYMER |
| Isomeric SMILES | C/C=C/C(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F |
| InChI | InChI=1S/C20H25FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h4,6,9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/b6-4+/t13-/m0/s1 |
| InChIKey | BCSXUDNOTSZTNK-BPJJOFIESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 52 |
| Chiral Atom Count | 1 |
| Bond Count | 54 |
| Aromatic Bond Count | 10 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 138753315 |
