Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LCM8R0
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| Ligand Name |
N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea
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| Synonyms |
CHEMBL4564973; N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea; BDBM50522686; L9S
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| Structure |
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Download2D MOL |
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| Formula |
C29H33FN8O2
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| Canonical SMILES |
C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)NC3=CC=CC(=C3)C4CN(CCN4CCO)C5=NC=NC6=C5C=CN6
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| InChI |
1S/C29H33FN8O2/c30-23-7-4-8-24(36-11-1-2-12-36)26(23)35-29(40)34-21-6-3-5-20(17-21)25-18-38(14-13-37(25)15-16-39)28-22-9-10-31-27(22)32-19-33-28/h3-10,17,19,25,39H,1-2,11-16,18H2,(H,31,32,33)(H2,34,35,40)/t25-/m0/s1
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| InChIKey |
ZJSNZHATZAWKIQ-VWLOTQADSA-N
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| PubChem Compound ID | ||||
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