Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1QDR3
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| Ligand Name |
(~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide
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| Synonyms |
(~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide; G7W
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| Structure |
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Download2D MOL |
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| Formula |
C25H20F4N6O2
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| Canonical SMILES |
CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)NC(=O)C=CC(=O)C4=CC(=C(C=C4)F)C(F)(F)F)N
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| InChI |
1S/C25H20F4N6O2/c1-13(2)35-24-21(23(30)31-12-32-24)22(34-35)14-3-6-16(7-4-14)33-20(37)10-9-19(36)15-5-8-18(26)17(11-15)25(27,28)29/h3-13H,1-2H3,(H,33,37)(H2,30,31,32)/b10-9+
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| InChIKey |
UNZLHTLRBOOXGC-MDZDMXLPSA-N
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| PubChem Compound ID | ||||
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