[3H]N-methyl-AZ10419369   Click here for help

GtoPdb Ligand ID: 3219

Synonyms: [N-methyl-3H3]AZ10419369
 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 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 78.26
Molecular weight 462.23
XLogP 3.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)c1ccc(c2c1oc(cc2=O)C(=O)Nc1ccc(cc1)N1CCOCC1)C
Isomeric SMILES O=C(c1cc(=O)c2c(o1)c(ccc2C)N1CCN(CC1)C([3H])([3H])[3H])Nc1ccc(cc1)N1CCOCC1
InChI InChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2T3
InChI Key JKPWOPNZKYPRPZ-BHTRQJOGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-methyl-8-[4-(3H3)methylpiperazin-1-yl]-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H-chromene-2-carboxamide
Synonyms Click here for help
[N-methyl-3H3]AZ10419369
Database Links Click here for help
GtoPdb PubChem SID 135651189
PubChem CID 25067576
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