Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG49AC
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| Ligand Name |
3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
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| Synonyms |
3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium; CHEMBL1626802; BI7
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| Structure |
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Download2D MOL |
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| Formula |
C22H28ClN4O3S+
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| Canonical SMILES |
C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)C4=NOC(=C4)C5=CC=C(S5)Cl
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| InChI |
1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)18-14-6-4-9-25(14)20(19(18)22(26)29)13-12-15(30-24-13)16-7-8-17(23)31-16/h7-8,12,14,18-20H,4-6,9-11H2,1-3H3/q+1/t14-,18-,19-,20-/m0/s1
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| InChIKey |
IMQAZTOPHVBANA-DSYPUSFNSA-N
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| PubChem Compound ID | ||||
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