Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LHT37A
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| Ligand Name |
4-[4-(Biphenyl-3-Ylmethyl)piperazin-1-Yl]-N-{[4-({(1r)-3-(Dimethylamino)-1-[(Phenylsulfanyl)methyl]propyl}amino)-3-Nitrophenyl]sulfonyl}benzamide
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| Synonyms |
CHEMBL1236741; 4-[4-(Biphenyl-3-Ylmethyl)piperazin-1-Yl]-N-{[4-({(1r)-3-(Dimethylamino)-1-[(Phenylsulfanyl)methyl]propyl}amino)-3-Nitrophenyl]sulfonyl}benzamide; SCHEMBL1540519; BDBM50066763; Q27467393; X0J
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| Structure |
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Download2D MOL
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| Formula |
C42H46N6O5S2
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| Canonical SMILES |
CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC(=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]
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| InChI |
1S/C42H46N6O5S2/c1-45(2)23-22-36(31-54-38-14-7-4-8-15-38)43-40-21-20-39(29-41(40)48(50)51)55(52,53)44-42(49)34-16-18-37(19-17-34)47-26-24-46(25-27-47)30-32-10-9-13-35(28-32)33-11-5-3-6-12-33/h3-21,28-29,36,43H,22-27,30-31H2,1-2H3,(H,44,49)/t36-/m1/s1
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| InChIKey |
YVZYKXDSCCZVEP-PSXMRANNSA-N
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| PubChem Compound ID | ||||
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