Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE5AY7
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| Ligand Name |
2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide
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| Synonyms |
CHEMBL5082786; 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide; 8M6; BDBM50586222
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| Structure |
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Download2D MOL |
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| Formula |
C24H23N5O4S2
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| Canonical SMILES |
CC1=C(C=CC=N1)NC(=O)CSC2=NC3=C(C4=C(S3)CN(CC4)C(=O)C)C(=O)N2CC5=CC=CO5
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| InChI |
1S/C24H23N5O4S2/c1-14-18(6-3-8-25-14)26-20(31)13-34-24-27-22-21(23(32)29(24)11-16-5-4-10-33-16)17-7-9-28(15(2)30)12-19(17)35-22/h3-6,8,10H,7,9,11-13H2,1-2H3,(H,26,31)
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| InChIKey |
PQYXGDZAWKQEEM-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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