LigandBoxID:D00809

NAME:Amitriptyline hydrochloride;Elavil
SMILES: CN(CCC=C3c1ccccc1CCc2ccccc32)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00809

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H24N 278.419 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -3.9638 -11.7258
LOGS LOGP    
-5.6181 6.3091    

Links to the same SMILES compounds

LIGANDBOX C06824 D07448 HTS1610-00115707 HTS1610-00115708 HTS1610-02682904
KSH2016-00015732 KSH2016-02218135 PDB_TP0
CHEMBL CHEMBL1200964 CHEMBL629
ZINC ZINC00968257
PUBCHEM 11065 11478127 11504479 11505922 11749300
12291954 171003 18415560 19964142 19964143 21183430
2160 23323986 24825685 24847951 25052723 25229704
3413420 43833356 44147225 44151386 45102796 46780369
46780370 53398683 657376 9892707 9918210 9955317


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