Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0ITF4
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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]cyclobutane-1-Carboxylic Acid
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| Synonyms |
CHEMBL3900166; 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]cyclobutane-1-Carboxylic Acid; BDBM50192768; 70D
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| Structure |
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Download2D MOL |
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| Formula |
C35H36FN5O5
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| Canonical SMILES |
CC1COC(=O)NC2=CC(=C(C=C2)C3(CCC3)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/C35H36FN5O5/c1-19-13-21-5-8-25(19)20(2)18-46-34(45)40-23-7-10-28(35(33(43)44)11-4-12-35)22(14-23)17-41(3)32(42)30(21)39-24-6-9-26-27(15-24)29(36)16-38-31(26)37/h5-10,13-16,20,30,39H,4,11-12,17-18H2,1-3H3,(H2,37,38)(H,40,45)(H,43,44)/t20-,30+/m0/s1
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| InChIKey |
PROYMPSAMYSXNO-WENCNXQZSA-N
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| PubChem Compound ID | ||||
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