PD 102807   Click here for help

GtoPdb Ligand ID: 11498

Synonyms: LSM-1888 | LSM1888 | PD-102807 | PD102807
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 63.79
Molecular weight 392.17
XLogP 4.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC
Isomeric SMILES CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC
InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
InChI Key VDDUJINYXKGZLV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
Synonyms Click here for help
LSM-1888 | LSM1888 | PD-102807 | PD102807
Database Links Click here for help
BindingDB Ligand 50071171
ChEMBL Ligand CHEMBL59898
GtoPdb PubChem SID 440816866
PubChem CID 4995951
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