falnidamol   Click here for help

GtoPdb Ligand ID: 7646

Synonyms: BIBX 1382 | BIBX-1382 | BIBX1382
Compound class: Synthetic organic
Comment: Falnidamol is a selective and reversible inhibitor of EGFR and HER2.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 78.86
Molecular weight 387.14
XLogP 2.37
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F
Isomeric SMILES CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F
InChI InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7857 falnidamol
Synonyms Click here for help
BIBX 1382 | BIBX-1382 | BIBX1382
Database Links Click here for help
CAS Registry No. 196612-93-8
ChEMBL Ligand CHEMBL258940
GtoPdb PubChem SID 223365981
PubChem CID 6918508
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UniChem Compound Search for chemical match using the InChIKey FTFRZXFNZVCRSK-UHFFFAOYSA-N
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