Flt-3 inhibitor II   

GtoPdb Ligand ID: 5971

Compound class: Synthetic organic
Comment: This is compound 102 in [3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 89.11
Molecular weight 292.08
XLogP 3.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O
Isomeric SMILES Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O
InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
InChI Key NIMIWWQLOGNYHD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[(5-hydroxy-1H-indol-2-yl)carbonyl]-1H-indol-5-ol
Comments
This is compound 102 in [3].
Database Links
CAS Registry No. 896138-40-2
ChEMBL Ligand CHEMBL377193
GtoPdb PubChem SID 178102594
PubChem CID 11601743
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