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| Ligand ID | 6I6 |
| InChI | InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1 |
| InChIKey | IOVAZWDIRCRMTM-OAHLLOKOSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CCc1onc(n1)c2ccc3[CH](CCc3c2)NC(=O)c4cnn(C)c4 | | OpenEye OEToolkits 2.0.7 | CCc1nc(no1)c2ccc3c(c2)CCC3NC(=O)c4cnn(c4)C | | CACTVS 3.385 | CCc1onc(n1)c2ccc3[C@@H](CCc3c2)NC(=O)c4cnn(C)c4 | | OpenEye OEToolkits 2.0.7 | CCc1nc(no1)c2ccc3c(c2)CC[C@H]3NC(=O)c4cnn(c4)C |
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| Formula | C18 H19 N5 O2 |
| Name | aficamten;
~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 9f6c Chain B Residue 802
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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