taltirelin   Click here for help

GtoPdb Ligand ID: 2143

Synonyms: TA 0910
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 170.59
Molecular weight 405.18
XLogP -3.25
No. Lipinski's rules broken 1
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Canonical SMILES CN1C(=O)CC(NC1=O)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1
Isomeric SMILES CN1C(=O)C[C@H](NC1=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1[nH]cnc1
InChI InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12-/m0/s1
Classification Click here for help
Compound class Synthetic organic
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International Nonproprietary Names Click here for help
INN number INN
7503 taltirelin
Synonyms Click here for help
TA 0910
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Specialist databases
GPCRdb Ligand taltirelin
Other databases
CAS Registry No. 103300-74-9 (source: Scifinder)
ChEMBL Ligand CHEMBL2107016
GtoPdb PubChem SID 135651232
PubChem CID 114750
Search Google for chemical match using the InChIKey LQZAIAZUDWIVPM-SRVKXCTJSA-N
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UniChem Compound Search for chemical match using the InChIKey LQZAIAZUDWIVPM-SRVKXCTJSA-N
UniChem Connectivity Search for chemical match using the InChIKey LQZAIAZUDWIVPM-SRVKXCTJSA-N
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Taltirelin (links to external site)
Cat. No. 2672