Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: NITROMIFENE
Compound Identifier: 705032
Mol Structure 2D: 705032
Molecular Weight: 445
Formula: C27 H28 N2 O4
Development Status: Preclinical
SMILES: COc1ccc(cc1)C(=C([N+](=O)[O-])c2ccccc2)c3ccc(OCCN4CCCC4)cc3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222372D 0 0.00000 0.00000 0^^ 33 36 0 0 0 999 V2000^ -0.7208 -2.2167 0.0000 N 0 3 0 0 0 0 0 0 0^ -1.2333 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7208 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2917 -2.2167 0.0000 O 0 5 0 0 0 0 0 0 0^ 0.2917 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2458 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2125 1.9458 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.2458 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2625 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7208 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8000 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2833 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3542 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2625 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2333 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8292 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8417 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7875 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4042 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.3375 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3375 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7875 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0167 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2292 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7875 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8208 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0042 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5292 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8375 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8208 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 2 0 0 0^ 4 1 1 0 0 0^ 5 3 1 0 0 0^ 6 3 1 0 0 0^ 7 21 1 0 0 0^ 8 1 2 0 0 0^ 9 2 1 0 0 0^ 10 6 2 0 0 0^ 11 5 2 0 0 0^ 12 5 1 0 0 0^ 13 6 1 0 0 0^ 14 18 1 0 0 0^ 15 19 1 0 0 0^ 16 10 1 0 0 0^ 17 11 1 0 0 0^ 18 12 2 0 0 0^ 19 13 2 0 0 0^ 20 14 1 0 0 0^ 21 22 1 0 0 0^ 22 20 1 0 0 0^ 23 15 1 0 0 0^ 24 7 1 0 0 0^ 25 7 1 0 0 0^ 26 9 2 0 0 0^ 27 9 1 0 0 0^ 28 23 1 0 0 0^ 29 24 1 0 0 0^ 30 25 1 0 0 0^ 31 27 2 0 0 0^ 32 26 1 0 0 0^ 33 31 1 0 0 0^ 33 32 2 0 0 0^ 15 16 2 0 0 0^ 14 17 2 0 0 0^ 30 29 1 0 0 0^M CHG 2 1 1 4 -1^M END^^
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