Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L0NLT4
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| Ligand Name |
Methyl (2s)-3-{4-Amino-7-[(1e)-3-Hydroxyprop-1-En-1-Yl]-5-(4-Methylphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-6-Yl}-2-Cyanopropanoate
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| Structure |
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Download2D MOL |
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| Formula |
C21H21N5O3
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| Canonical SMILES |
CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)C=CCO)CC(C#N)C(=O)OC
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| InChI |
1S/C21H21N5O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(28)29-2)26(8-3-9-27)20-18(17)19(23)24-12-25-20/h3-8,12,15,27H,9-10H2,1-2H3,(H2,23,24,25)/b8-3+/t15-/m0/s1
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| InChIKey |
ZJERBAYUHUAUBE-GZTQLTBSSA-N
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| PubChem Compound ID | ||||
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