Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L53LWT
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| Ligand Name |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
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| Synonyms |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol; KY5
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| Structure |
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Download2D MOL |
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| Formula |
C21H31N9O3
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| Canonical SMILES |
C1=CC=NC(=C1)NCCCN(CCCN)CC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O
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| InChI |
1S/C21H31N9O3/c22-6-3-9-29(10-4-8-25-15-5-1-2-7-24-15)11-14-17(31)18(32)21(33-14)30-13-28-16-19(23)26-12-27-20(16)30/h1-2,5,7,12-14,17-18,21,31-32H,3-4,6,8-11,22H2,(H,24,25)(H2,23,26,27)/t14-,17-,18-,21-/m1/s1
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| InChIKey |
YWUJVBSQHYBLFQ-HAXDFEGKSA-N
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| PubChem Compound ID | ||||
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