Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LHW20T
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| Ligand Name |
2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid
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| Synonyms |
2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid; I0M
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| Structure |
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Download2D MOL
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| Formula |
C27H32Cl2N6O4+2
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| Canonical SMILES |
C[NH+]1CCN(CC1)C2=NC=C(C=N2)OC3=CC(=CC(=N3)C4=CC(=CC(=C4)Cl)Cl)C[NH+]5CCC(C5)OCC(=O)O
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| InChI |
1S/C27H30Cl2N6O4/c1-33-4-6-35(7-5-33)27-30-13-23(14-31-27)39-25-9-18(15-34-3-2-22(16-34)38-17-26(36)37)8-24(32-25)19-10-20(28)12-21(29)11-19/h8-14,22H,2-7,15-17H2,1H3,(H,36,37)/p+2/t22-/m0/s1
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| InChIKey |
NPVPASPENGAFSC-QFIPXVFZSA-P
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| PubChem Compound ID | ||||
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