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Ligand ID | F26 |
InChI | InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+ |
InChIKey | VJASLAGEYVTOGS-IQAIWTHGSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C | CACTVS 3.385 | CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C | OpenEye OEToolkits 2.0.7 | Cc1ccc(c(c1C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C | CACTVS 3.385 | CC(C)=CCCC(\C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C |
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Formula | C40 H52 |
Name | 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene |
ChEMBL | |
DrugBank | |
ZINC | ZINC000030730035
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PDB chain | 6m32 Chain a Residue 816
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[View ligand structure]
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