Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA6X1S
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| Ligand Name |
Methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
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| Synonyms |
methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate; EZF; CHEMBL4803149; SCHEMBL23666973
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| Structure |
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Download2D MOL |
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| Formula |
C28H31ClN6O4
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| Canonical SMILES |
CN1C(=C2C(=N1)C(=O)N(C=N2)CC3(CCN(CC3)CC4=C(C=C(C=C4)C(=O)OC)Cl)O)C5=CC=C(C=C5)CN
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| InChI |
1S/C28H31ClN6O4/c1-33-25(19-5-3-18(14-30)4-6-19)23-24(32-33)26(36)35(17-31-23)16-28(38)9-11-34(12-10-28)15-21-8-7-20(13-22(21)29)27(37)39-2/h3-8,13,17,38H,9-12,14-16,30H2,1-2H3
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| InChIKey |
AQZDRXXVFOYWHG-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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