Viewing Compound With Structures

Home Icon Home Search Icon Search Certify Doc Icon Certify Doc Certify Doc Icon Genes Certify Doc Icon Clinical Trials Certify Doc Icon CompTox Processes Icon DrugMatrix Open Targets Icon Open Targets Processes Icon Products Support Icon Support Bugs Icon Bugs
Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: ENTACAPONE
Compound Identifier: 704456
Mol Structure 2D: 704456
Molecular Weight: 305
Formula: C14 H15 N3 O5
Development Status: US FDA Approved
SMILES: CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)[O-])C#N
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222102D 0 0.00000 0.00000 0^^ 22 22 0 0 0 999 V2000^ -0.6655 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6655 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0069 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3586 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3586 -0.6552 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6931 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0379 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0379 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3586 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7138 0.9276 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.7138 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0345 0.5276 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.3586 1.6862 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0310 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7103 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7103 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3862 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7000 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6931 -1.0310 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.3690 -1.4276 0.0000 N 0 3 0 0 0 0 0 0 0^ -0.7069 -1.8069 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0552 -1.7862 0.0000 O 0 5 0 0 0 0 0 0 0^ 9 13 2 0 0 0^ 12 14 1 0 0 0^ 12 15 1 0 0 0^ 14 16 1 0 0 0^ 15 17 1 0 0 0^ 7 8 1 0 0 0^ 1 2 2 0 0 0^ 1 3 1 0 0 0^ 1 4 1 0 0 0^ 2 5 1 0 0 0^ 3 6 2 0 0 0^ 4 7 2 0 0 0^ 5 8 2 0 0 0^ 5 20 1 0 0 0^ 6 9 1 0 0 0^ 6 18 1 0 0 0^ 18 19 3 0 0 0^ 7 10 1 0 0 0^ 8 11 1 0 0 0^ 9 12 1 0 0 0^ 20 21 2 0 0 0^ 20 22 1 0 0 0^M CHG 2 20 1 22 -1^M STY 2 1 SUP 2 SUP^M SLB 2 1 1 2 2^M SAL 1 2 18 19^M SBL 1 1 16^M SMT 1 CN^M SBV 1 16 -0.0100 0.7800^M SAL 2 3 20 21 22^M SBL 2 1 14^M SMT 2 NO2^M SBV 2 14 0.0100 0.7700^M END^^
Structure View
View