Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: PRINOMASTAT
Compound Identifier: 706259
Mol Structure 2D: 706259
Molecular Weight: 424
Formula: C18 H21 N3 O5 S2
Development Status: Clinical, Phase II/III
SMILES: CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c2ccc(Oc3ccncc3)cc2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223252D 0 0.00000 0.00000 0^^ 28 30 0 1 0 999 V2000^ -0.8833 -0.5292 0.0000 S 0 0 3 0 0 0 0 0 0^ -1.9958 0.0833 0.0000 N 0 0 3 0 0 0 0 0 0^ -3.0833 -0.5292 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.0833 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1625 0.0833 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.1542 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0542 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6625 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.1625 1.3208 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.9958 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9458 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.1208 -2.3792 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.6917 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.1542 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2292 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3667 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.4917 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0833 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2292 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1208 -3.6417 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.6042 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4917 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.6917 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6042 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.5833 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.5833 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 3 4 1 1 0 0^ 5 3 1 0 0 0^ 6 1 1 0 0 0^ 7 1 2 0 0 0^ 8 1 2 0 0 0^ 9 18 1 0 0 0^ 10 2 1 0 0 0^ 11 4 2 0 0 0^ 12 4 1 0 0 0^ 13 26 1 0 0 0^ 14 6 1 0 0 0^ 15 6 2 0 0 0^ 16 19 1 0 0 0^ 17 16 1 0 0 0^ 18 10 1 0 0 0^ 19 20 2 0 0 0^ 20 15 1 0 0 0^ 21 14 2 0 0 0^ 22 12 1 0 0 0^ 23 17 2 0 0 0^ 24 17 1 0 0 0^ 25 23 1 0 0 0^ 26 24 2 0 0 0^ 27 5 1 0 0 0^ 28 5 1 0 0 0^ 19 21 1 0 0 0^ 9 5 1 0 0 0^ 13 25 2 0 0 0^M END^^
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