Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: ESTRAZINOL
Compound Identifier: 701543
Mol Structure 2D: 701543
Molecular Weight: 311
Formula: C20 H25 N O2
Development Status: Preclinical
SMILES: COc1ccc2C3CCC4(C)C(CCC4(O)C#C)N3CCc2c1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222362D 0 0.00000 0.00000 0^^ 25 28 0 1 0 999 V2000^ 0.0042 -0.1750 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.8417 1.1458 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.8417 0.1875 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.8333 0.1875 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.6750 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9167 1.4958 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.6750 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2375 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0042 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8333 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9792 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8333 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6000 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3625 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7417 2.6250 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.6125 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3625 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2208 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2208 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3667 -0.7667 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.8333 -0.8375 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 1 1 0 0 0^ 4 1 1 0 0 0^ 5 4 1 0 0 0^ 6 2 1 0 0 0^ 7 15 1 0 0 0^ 6 8 1 6 0 0^ 9 11 1 0 0 0^ 10 1 1 0 0 0^ 11 4 1 0 0 0^ 12 3 1 0 0 0^ 13 8 3 0 0 0^ 14 5 1 0 0 0^ 15 10 1 0 0 0^ 16 12 1 0 0 0^ 17 7 1 0 0 0^ 18 17 2 0 0 0^ 6 19 1 1 0 0^ 2 20 1 1 0 0^ 21 14 2 0 0 0^ 22 18 1 0 0 0^ 23 22 1 0 0 0^ 3 24 1 6 0 0^ 4 25 1 6 0 0^ 7 5 2 0 0 0^ 9 2 1 0 0 0^ 16 6 1 0 0 0^ 18 21 1 0 0 0^M END^^
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