Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L52RFP
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| Ligand Name |
(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
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| Synonyms |
CHEMBL459141; Q27459996; (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
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| Structure |
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Download2D MOL |
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| Formula |
C25H29ClN6O4
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| Canonical SMILES |
COC(=O)C(=C(NC1CCCCN(C1=O)CC(=O)N2CCCC2)NC3=CC=CC4=C3NC=C4Cl)C#N
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| InChI |
1S/C25H29ClN6O4/c1-36-25(35)17(13-27)23(29-19-9-6-7-16-18(26)14-28-22(16)19)30-20-8-2-3-12-32(24(20)34)15-21(33)31-10-4-5-11-31/h6-7,9,14,20,28-30H,2-5,8,10-12,15H2,1H3/b23-17+/t20-/m0/s1
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| InChIKey |
QDGDCWKBZPDHTQ-UZXYXVAJSA-N
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| PubChem Compound ID | ||||
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