Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7RK9T
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| Ligand Name |
(5r,11r)-11-[(1-Amino-4-Fluoroisoquinolin-6-Yl)amino]-16-(Cyclopropylsulfonyl)-7-(2,2-Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione
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| Synonyms |
CHEMBL3898956; (5r,11r)-11-[(1-Amino-4-Fluoroisoquinolin-6-Yl)amino]-16-(Cyclopropylsulfonyl)-7-(2,2-Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione; SCHEMBL16307083; BDBM50205841; 7KS
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| Structure |
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Download2D MOL |
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| Formula |
C34H34F3N5O5S
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| Canonical SMILES |
CC1CC(=O)NC2=CC(=C(C=C2)S(=O)(=O)C3CC3)CN(C(=O)C(C4=CC1=C(C=C4)OCC(F)F)NC5=CC6=C(C=C5)C(=NC=C6F)N)C
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| InChI |
1S/C34H34F3N5O5S/c1-18-11-31(43)40-21-5-10-29(48(45,46)23-6-7-23)20(12-21)16-42(2)34(44)32(19-3-9-28(25(18)13-19)47-17-30(36)37)41-22-4-8-24-26(14-22)27(35)15-39-33(24)38/h3-5,8-10,12-15,18,23,30,32,41H,6-7,11,16-17H2,1-2H3,(H2,38,39)(H,40,43)/t18-,32-/m1/s1
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| InChIKey |
UWAQLEGUXYPPDC-ZUQCGGBESA-N
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| PubChem Compound ID | ||||
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