Alexa-488-telenzepine   Click here for help

GtoPdb Ligand ID: 8600

 Ligand is labelled
Compound class: Synthetic organic
Comment: Fluorescence-labelled ligand.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 15
Hydrogen bond donors 4
Rotatable bonds 20
Topological polar surface area 361.92
Molecular weight 1025.28
XLogP 9.38
No. Lipinski's rules broken 3
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Canonical SMILES O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2
Isomeric SMILES O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2
InChI InChI=1S/C49H57N7O12S3/c1-29-42-35(28-69-29)48(59)53-38-12-8-9-13-39(38)56(42)40(57)27-55-24-22-54(23-25-55)21-11-7-5-3-2-4-6-10-20-52-47(58)30-14-15-31(34(26-30)49(60)61)41-32-16-18-36(50)45(70(62,63)64)43(32)68-44-33(41)17-19-37(51)46(44)71(65,66)67/h8-9,12-19,26,28,50,62-67H,2-7,10-11,20-25,27,51H2,1H3,(H,52,58)(H,53,59)(H,60,61)/p-6
1. Hern JA, Baig AH, Mashanov GI, Birdsall B, Corrie JE, Lazareno S, Molloy JE, Birdsall NJ. (2010)
Formation and dissociation of M1 muscarinic receptor dimers seen by total internal reflection fluorescence imaging of single molecules.
Proc Natl Acad Sci USA, 107 (6): 2693-8. [PMID:20133736]
2. Nenasheva TA, Neary M, Mashanov GI, Birdsall NJ, Breckenridge RA, Molloy JE. (2013)
Abundance, distribution, mobility and oligomeric state of M₂ muscarinic acetylcholine receptors in live cardiac muscle.
J Mol Cell Cardiol, 57: 129-36. [PMID:23357106]