Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L73EKQ
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| Ligand Name |
N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
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| Synonyms |
N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine; SCHEMBL5129062; BDBM586506; BJV
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| Structure |
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Download2D MOL |
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| Formula |
C37H42ClN5O4S
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| Canonical SMILES |
COC1=C(C=C(C=C1)C#CC2=C(C=CC(=C2)C3=NN(C4=C3CN(CC4)S(=O)(=O)C)CCCN5CCOCC5)Cl)CNCC6=CC=CC=C6
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| InChI |
1S/C37H42ClN5O4S/c1-46-36-14-10-28(23-32(36)26-39-25-29-7-4-3-5-8-29)9-11-30-24-31(12-13-34(30)38)37-33-27-42(48(2,44)45)18-15-35(33)43(40-37)17-6-16-41-19-21-47-22-20-41/h3-5,7-8,10,12-14,23-24,39H,6,15-22,25-27H2,1-2H3
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| InChIKey |
XDJYRFZPTINNSF-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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