Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1KNE7
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| Ligand Name |
4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide
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| Synonyms |
CHEMBL4519857; 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide; BDBM50529610; G5D
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| Structure |
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Download2D MOL |
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| Formula |
C21H23N7O2
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| Canonical SMILES |
CCNC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)N3CC4CC3CN4C(=O)CC#N
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| InChI |
1S/C21H23N7O2/c1-2-23-20(30)14-3-5-15(6-4-14)25-21-24-10-8-18(26-21)27-12-17-11-16(27)13-28(17)19(29)7-9-22/h3-6,8,10,16-17H,2,7,11-13H2,1H3,(H,23,30)(H,24,25,26)/t16-,17-/m0/s1
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| InChIKey |
YUJXKTRZTBIDCL-IRXDYDNUSA-N
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| PubChem Compound ID | ||||
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