Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5KH8B
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| Ligand Name |
N-benzyl-1-{2-chloro-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]phenyl}methanamine
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| Synonyms |
N-benzyl-1-{2-chloro-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]phenyl}methanamine; BJD; CatS_368; SCHEMBL4574288; BDBM587200
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| Structure |
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Download2D MOL |
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| Formula |
C36H39Cl2N5O3S
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| Canonical SMILES |
CS(=O)(=O)N1CCC2=C(C1)C(=NN2CCCN3CCOCC3)C4=CC(=C(C=C4)Cl)C#CC5=CC(=C(C=C5)Cl)CNCC6=CC=CC=C6
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| InChI |
1S/C36H39Cl2N5O3S/c1-47(44,45)42-17-14-35-32(26-42)36(40-43(35)16-5-15-41-18-20-46-21-19-41)30-11-13-33(37)29(23-30)10-8-27-9-12-34(38)31(22-27)25-39-24-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,22-23,39H,5,14-21,24-26H2,1H3
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| InChIKey |
IZBBHSKSQLPYHT-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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