Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: ONAPRISTONE
Compound Identifier: 702304
Mol Structure 2D: 702304
Molecular Weight: 450
Formula: C29 H39 N O3
Development Status: Preclinical
SMILES: CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(O)CCCO)C4CCC5=CC(=O)CCC5=C24
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222512D 0 0.00000 0.00000 0^^ 36 40 0 1 0 999 V2000^ -0.5833 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9167 0.1000 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.3333 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 -1.1375 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.5833 0.1000 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.9167 -0.7542 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.3333 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8167 0.4208 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.0833 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0833 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9375 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5833 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8333 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4292 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6333 1.7833 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.0958 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1208 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8708 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5958 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8333 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.7417 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0792 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2792 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3458 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6708 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5250 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 -0.1542 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.4958 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.2125 -1.7000 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 8 1 0 0 0^ 3 1 2 0 0 0^ 4 1 1 0 0 0^ 5 1 1 0 0 0^ 6 4 1 0 0 0^ 7 3 1 0 0 0^ 8 5 1 0 0 0^ 9 2 1 0 0 0^ 10 7 2 0 0 0^ 11 4 1 0 0 0^ 12 3 1 0 0 0^ 13 6 1 0 0 0^ 5 14 1 1 0 0^ 15 11 1 0 0 0^ 16 25 1 0 0 0^ 17 22 2 0 0 0^ 18 13 1 0 0 0^ 19 17 1 0 0 0^ 20 14 1 0 0 0^ 21 14 2 0 0 0^ 22 21 1 0 0 0^ 23 20 2 0 0 0^ 24 16 2 0 0 0^ 25 12 1 0 0 0^ 9 26 1 6 0 0^ 2 27 1 6 0 0^ 9 28 1 1 0 0^ 29 32 1 0 0 0^ 30 19 1 0 0 0^ 31 19 1 0 0 0^ 32 33 1 0 0 0^ 33 28 1 0 0 0^ 4 34 1 1 0 0^ 5 35 1 6 0 0^ 6 36 1 6 0 0^ 2 6 1 0 0 0^ 15 7 1 0 0 0^ 17 23 1 0 0 0^ 18 9 1 0 0 0^ 16 10 1 0 0 0^M END^^
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