[3H]robalzotan   Click here for help

GtoPdb Ligand ID: 82

Synonyms: [3H]NAD 299 | [3H]NAD-299
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.56
Molecular weight 318.17
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)c1ccc(c2c1CC(CO2)N(C1CCC1)C1CCC1)F
Isomeric SMILES NC(=O)c1c([3H])cc(c2c1C[C@H](CO2)N(C1CCC1)C1CCC1)F
InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1/i7T
InChI Key MQTUXRKNJYPMCG-FZQCOGARSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3R)-3-(di(cyclobutyl)amino)-8-fluoro-6-tritiochroman-5-carboxamide
Synonyms Click here for help
[3H]NAD 299 | [3H]NAD-299
Database Links Click here for help
ChEMBL Ligand CHEMBL1628645
GtoPdb PubChem SID 135651184
PubChem CID 10591800
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