Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: BATIMASTAT
Compound Identifier: 703634
Mol Structure 2D: 703634
Molecular Weight: 478
Formula: C23 H31 N3 O4 S2
Development Status: Clinical, Phase II/III
SMILES: CNC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)C(CSc2cccs2)C(=O)NO
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223202D 0 0.00000 0.00000 0^^ 32 33 0 1 0 999 V2000^ -2.0750 0.5625 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.4333 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2500 1.0583 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.3625 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.8625 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2500 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 0.5500 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.9792 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0750 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4958 -2.3667 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.2500 -0.8667 0.0000 S 0 0 0 0 0 0 0 0 0^ -0.4333 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0458 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2500 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8083 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8625 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.9792 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7458 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7000 0.5625 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.7792 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9667 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.5000 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4833 2.9875 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.5792 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9667 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3292 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4833 3.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7542 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5542 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 1 1 0 0 0^ 6 11 1 0 0 0^ 7 4 1 0 0 0^ 8 7 1 0 0 0^ 1 9 1 6 0 0^ 10 6 1 0 0 0^ 11 9 1 0 0 0^ 12 2 2 0 0 0^ 13 6 2 0 0 0^ 3 14 1 1 0 0^ 15 10 1 0 0 0^ 7 16 1 6 0 0^ 17 5 2 0 0 0^ 18 8 2 0 0 0^ 19 13 1 0 0 0^ 20 5 1 0 0 0^ 21 8 1 0 0 0^ 22 16 1 0 0 0^ 23 20 1 0 0 0^ 24 14 1 0 0 0^ 25 21 1 0 0 0^ 26 22 1 0 0 0^ 27 22 2 0 0 0^ 28 24 1 0 0 0^ 29 24 1 0 0 0^ 30 27 1 0 0 0^ 31 26 2 0 0 0^ 32 30 2 0 0 0^ 15 19 2 0 0 0^ 32 31 1 0 0 0^M END^^
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