Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9KX8S
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| Ligand Name |
(2r,15r)-2-[(1-Aminoisoquinolin-6-Yl)amino]-4,15,17-Trimethyl-7-[1-(1h-Tetrazol-5-Yl)cyclopropyl]-13-Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaene-3,12-Dione
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| Synonyms |
(2r,15r)-2-[(1-Aminoisoquinolin-6-Yl)amino]-4,15,17-Trimethyl-7-[1-(1h-Tetrazol-5-Yl)cyclopropyl]-13-Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaene-3,12-Dione; CHEMBL3902759; SCHEMBL16744585; US9174974, Example 36; BDBM189450; Q27456617; 70A
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| Structure |
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Download2D MOL |
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| Formula |
C34H35N9O3
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| Canonical SMILES |
CC1COC(=O)NC2=CC(=C(C=C2)C3(CC3)C4=NNN=N4)CN(C(=O)C(C5=CC(=C1C=C5)C)NC6=CC7=C(C=C6)C(=NC=C7)N)C
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| InChI |
1S/C34H35N9O3/c1-19-14-22-4-7-26(19)20(2)18-46-33(45)38-25-6-9-28(34(11-12-34)32-39-41-42-40-32)23(16-25)17-43(3)31(44)29(22)37-24-5-8-27-21(15-24)10-13-36-30(27)35/h4-10,13-16,20,29,37H,11-12,17-18H2,1-3H3,(H2,35,36)(H,38,45)(H,39,40,41,42)/t20-,29+/m0/s1
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| InChIKey |
YSEANFNTDGIIGS-AFJIDDCJSA-N
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| PubChem Compound ID | ||||
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