Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5YP6I
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| Ligand Name |
1-[(2r,15r)-2-[(1-Amino-4-Fluoroisoquinolin-6-Yl)amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaen-7-Yl]cyclohexane-1-Carboxylic Acid
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| Synonyms |
CHEMBL3956096; 1-[(2r,15r)-2-[(1-Amino-4-Fluoroisoquinolin-6-Yl)amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaen-7-Yl]cyclohexane-1-Carboxylic Acid; BDBM50192770
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| Structure |
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Download2D MOL |
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| Formula |
C37H40FN5O5
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| Canonical SMILES |
CC1COC(=O)NC2=CC(=C(C=C2)C3(CCCCC3)C(=O)O)CN(C(=O)C(C4=CC(=C1C=C4)C)NC5=CC6=C(C=C5)C(=NC=C6F)N)C
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| InChI |
1S/C37H40FN5O5/c1-21-15-23-7-10-27(21)22(2)20-48-36(47)42-25-9-12-30(37(35(45)46)13-5-4-6-14-37)24(16-25)19-43(3)34(44)32(23)41-26-8-11-28-29(17-26)31(38)18-40-33(28)39/h7-12,15-18,22,32,41H,4-6,13-14,19-20H2,1-3H3,(H2,39,40)(H,42,47)(H,45,46)/t22-,32+/m0/s1
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| InChIKey |
ONDHAMRPENUPCS-GHRAFVERSA-N
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| PubChem Compound ID | ||||
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