Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8VD6P
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| Ligand Name |
N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
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| Synonyms |
AM-6494; CHEMBL4560579; N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide; SCHEMBL17496082; GTPL10520; BDBM50510976; compound 20 [PMID: 31589043]; HY-128774; CS-0105114; N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide; P6J
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| Structure |
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Download2D MOL |
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| Formula |
C22H21F2N5O3S
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| Canonical SMILES |
CC1(C2CC2(SC(=N1)N)COC)C3=C(C(=CC(=C3)NC(=O)C4=CN=C(C=N4)OCC#C)F)F
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| InChI |
1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1
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| InChIKey |
IPUJINDWAGRAHN-KNXBSLHKSA-N
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| PubChem Compound ID | ||||
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