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: NEPICASTAT HYDROCHLORIDE
Compound Identifier: 704133
Mol Structure 2D: 704133
Molecular Weight: 295
Formula: C14 H15 F2 N3 S
Development Status: Clinical, Phase I
SMILES: NCc1c[nH]c(=S)n1C2CCc3c(F)cc(F)cc3C2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223272D 0 0.00000 0.00000 0^^ 20 22 0 1 0 999 V2000^ 4.7167 -2.3167 0.0000 N 0 0 3 0 0 0 0 0 0^ 4.9625 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0042 -2.7417 0.0000 C 0 0 2 0 0 0 0 0 0^ 5.8000 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.3792 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5792 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0542 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8375 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1292 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4625 -0.9167 0.0000 S 0 0 0 0 0 0 0 0 0^ 1.8375 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0042 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1292 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8375 -4.8167 0.0000 F 0 0 0 0 0 0 0 0 0^ 0.4042 -2.3167 0.0000 F 0 0 0 0 0 0 0 0 0^ 5.3667 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0625 -4.0542 0.0000 N 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 1 0 0^ 4 2 1 0 0 0^ 5 1 1 0 0 0^ 6 10 1 0 0 0^ 7 12 1 0 0 0^ 8 5 2 0 0 0^ 9 7 1 0 0 0^ 10 3 1 0 0 0^ 11 9 2 0 0 0^ 12 15 1 0 0 0^ 13 2 2 0 0 0^ 14 6 1 0 0 0^ 15 3 1 0 0 0^ 16 14 2 0 0 0^ 17 9 1 0 0 0^ 18 16 1 0 0 0^ 19 5 1 0 0 0^ 20 19 1 0 0 0^ 4 8 1 0 0 0^ 7 6 2 0 0 0^ 11 16 1 0 0 0^M END^^
Structure View
View