Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1Y5AI
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| Ligand Name |
4-[(4-{4-[(3-Cyclopropyl-1h-Pyrazol-5-Yl)amino]-6-[(Prop-2-Yn-1-Yl)carbamoyl]pyrimidin-2-Yl}piperazin-1-Yl)methyl]benzene-1-Sulfonyl Fluoride
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| Synonyms |
CHEMBL4855850; 4-[(4-{4-[(3-Cyclopropyl-1h-Pyrazol-5-Yl)amino]-6-[(Prop-2-Yn-1-Yl)carbamoyl]pyrimidin-2-Yl}piperazin-1-Yl)methyl]benzene-1-Sulfonyl Fluoride; OX44; XO44; SCHEMBL22652820; OX 44; OX-44; BDBM50574076; ZINC584905647; PF6808472; PF 6808472; PF-6808472; J3.652.411A; PF-6808472, >=98% (HPLC); 2088112-70-1; 6-[(5-Cyclopropyl-1H-pyrazole-3-yl)amino]-2-[4-[4-(fluorosulfonyl)benzyl]-1-piperazinyl]-N-propargylpyrimidine-4-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C25H27FN8O3S
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| Canonical SMILES |
C#CCNC(=O)C1=CC(=NC(=N1)N2CCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)F)NC4=NNC(=C4)C5CC5
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| InChI |
1S/C25H27FN8O3S/c1-2-9-27-24(35)21-15-22(29-23-14-20(31-32-23)18-5-6-18)30-25(28-21)34-12-10-33(11-13-34)16-17-3-7-19(8-4-17)38(26,36)37/h1,3-4,7-8,14-15,18H,5-6,9-13,16H2,(H,27,35)(H2,28,29,30,31,32)
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| InChIKey |
ZBSPMOBILDLOCV-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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