Viewing Compound With Structures

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Compound Report Overview

Compound Name: J-995
Compound Identifier: 704099
Mol Structure 2D: 704099
Molecular Weight: 351
Formula: C18 H25 N O4 S
Development Status: Clinical, Phase I
SMILES: CC12CCC3C(CCc4cc(OS(=O)(=O)N)ccc34)C2CCC1O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223262D 0 0.00000 0.00000 0^^ 27 30 0 1 0 999 V2000^ -3.9208 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0^ 2.3125 1.2708 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.3125 0.3208 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.4542 -0.1792 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.6000 0.2875 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.2958 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2958 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4542 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6000 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2292 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0208 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1625 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.8000 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0708 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2292 1.5958 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.1875 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5667 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.7458 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0583 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7625 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0583 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3125 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2292 2.5583 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.4542 0.8958 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.6042 -0.6917 0.0000 H 0 0 0 0 0 0 0 0 0^ 2.3000 -0.7042 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 8 1 0 0 0^ 3 4 1 0 0 0^ 4 5 1 0 0 0^ 5 6 1 0 0 0^ 6 13 1 0 0 0^ 7 17 1 0 0 0^ 8 9 1 0 0 0^ 9 5 1 0 0 0^ 10 18 1 0 0 0^ 11 3 1 0 0 0^ 12 1 1 0 0 0^ 13 22 2 0 0 0^ 14 1 2 0 0 0^ 15 1 2 0 0 0^ 16 2 1 0 0 0^ 17 20 2 0 0 0^ 18 7 1 0 0 0^ 19 1 1 0 0 0^ 20 12 1 0 0 0^ 21 11 1 0 0 0^ 22 20 1 0 0 0^ 2 23 1 1 0 0^ 16 24 1 1 0 0^ 4 25 1 1 0 0^ 5 26 1 6 0 0^ 3 27 1 6 0 0^ 7 6 2 0 0 0^ 10 4 1 0 0 0^ 2 3 1 0 0 0^ 21 16 1 0 0 0^M END^^
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