Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBE0K3
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| Ligand Name |
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
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| Synonyms |
CHEMBL4128266; (~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile; BDBM50274605; F4B
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| Structure |
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Download2D MOL |
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| Formula |
C21H19N5O
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| Canonical SMILES |
C1CCC(CC1)N2C3=C4C=CNC4=NC=C3N=C2C5=CC=C(O5)C=CC#N
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| InChI |
1S/C21H19N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h4,7-10,12-14H,1-3,5-6H2,(H,23,24)/b7-4+
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| InChIKey |
UUVPPNMLZDVPOR-QPJJXVBHSA-N
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| PubChem Compound ID | ||||
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