Viewing Compound With Structures

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Compound Report Overview

Compound Name: BMS-180680
Compound Identifier: 703554
Mol Structure 2D: 703554
Molecular Weight: 568
Formula: C19 H17 N7 O10 S2
Development Status: Clinical, Phase I
SMILES: CC1C(NC(=O)C(=NOCc2nc3cc(O)c(O)cc3nc2C(=O)O)c4csc(N)n4)C(=O)N1S(=O)(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223182D 0 0.00000 0.00000 0^^ 38 41 0 1 0 999 V2000^ 1.2500 -2.0750 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.4250 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4250 -1.2042 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.9542 -2.4667 0.0000 S 0 0 3 0 0 0 0 0 0^ 1.2500 -1.2042 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.4583 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3333 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7583 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3625 2.8625 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.7125 -2.0750 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3000 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.0333 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3333 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3625 1.2708 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.5375 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1333 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7958 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.0333 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7667 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7667 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4542 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4542 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7583 0.0250 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.0958 -2.5125 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6542 -2.8542 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.9542 -3.2625 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0333 -2.0750 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6542 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0333 3.6833 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0458 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0458 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.0958 -2.6625 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.7000 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.9542 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1625 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1625 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 5 1 0 0 0^ 4 1 1 0 0 0^ 5 1 1 0 0 0^ 6 8 1 0 0 0^ 7 13 1 0 0 0^ 8 12 1 0 0 0^ 9 7 2 0 0 0^ 10 6 1 0 0 0^ 3 11 1 1 0 0^ 12 11 1 0 0 0^ 13 32 1 0 0 0^ 14 13 2 0 0 0^ 15 10 2 0 0 0^ 16 17 2 0 0 0^ 17 14 1 0 0 0^ 18 6 2 0 0 0^ 19 18 1 0 0 0^ 20 7 1 0 0 0^ 21 16 1 0 0 0^ 22 17 1 0 0 0^ 23 22 2 0 0 0^ 24 23 1 0 0 0^ 25 8 2 0 0 0^ 26 2 2 0 0 0^ 27 4 2 0 0 0^ 28 4 2 0 0 0^ 29 12 2 0 0 0^ 30 4 1 0 0 0^ 31 20 2 0 0 0^ 32 33 1 0 0 0^ 33 25 1 0 0 0^ 34 15 1 0 0 0^ 35 20 1 0 0 0^ 5 36 1 1 0 0^ 37 23 1 0 0 0^ 38 24 1 0 0 0^ 3 2 1 0 0 0^ 15 19 1 0 0 0^ 16 9 1 0 0 0^ 21 24 2 0 0 0^M END^^
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