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: BMS-181101
Compound Identifier: 703538
Mol Structure 2D: 703538
Molecular Weight: 369
Formula: C20 H24 F N5 O
Development Status: Clinical, Phase II/III
SMILES: COc1cncnc1N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223182D 0 0.00000 0.00000 0^^ 27 30 0 0 0 999 V2000^ -2.8333 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0458 0.0208 0.0000 N 0 0 3 0 0 0 0 0 0^ 4.0375 0.9333 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8625 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3375 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6167 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5958 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8208 -1.3500 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.7667 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4958 0.9208 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.4542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3708 -1.3500 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.2625 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0458 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5875 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2042 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2750 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4958 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8625 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5958 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3708 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7417 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4042 -2.2667 0.0000 F 0 0 0 0 0 0 0 0 0^ 0.2917 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8500 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0667 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 5 1 0 0 0^ 4 6 1 0 0 0^ 5 6 2 0 0 0^ 6 25 1 0 0 0^ 7 1 1 0 0 0^ 8 1 2 0 0 0^ 9 4 2 0 0 0^ 10 17 1 0 0 0^ 11 4 1 0 0 0^ 12 15 2 0 0 0^ 13 2 1 0 0 0^ 14 2 1 0 0 0^ 15 8 1 0 0 0^ 16 9 1 0 0 0^ 17 14 1 0 0 0^ 18 13 1 0 0 0^ 19 11 2 0 0 0^ 20 7 1 0 0 0^ 21 7 2 0 0 0^ 22 19 1 0 0 0^ 23 19 1 0 0 0^ 24 10 1 0 0 0^ 25 26 1 0 0 0^ 26 24 1 0 0 0^ 27 20 1 0 0 0^ 12 21 1 0 0 0^ 10 18 1 0 0 0^ 3 9 1 0 0 0^ 22 16 2 0 0 0^M END^^
Structure View
View