Viewing Compound With Structures

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Compound Report Overview

Compound Name: ZK-91587
Compound Identifier: 702984
Mol Structure 2D: 702984
Molecular Weight: 413
Formula: C25 H32 O5
Development Status: Clinical, Phase II/III
SMILES: COC(=O)C1CC2=CC(=O)CCC2(C)C3CCC4(C)C(C5CC5C64CCC(=O)O6)C13
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223082D 0 0.00000 0.00000 0^^ 35 40 0 1 0 999 V2000^ 2.0042 1.4875 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.5542 0.6583 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.0792 1.1583 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.0292 -0.1042 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.0792 0.1833 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.2375 -0.3125 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.5208 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5208 -0.3000 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.6333 0.1708 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.9250 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2375 -1.3125 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.9792 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.6458 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4125 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0917 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2375 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7792 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6333 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3000 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3833 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2833 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0917 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2375 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.1583 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5042 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2833 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5208 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8125 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1667 1.0958 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.0792 -0.8917 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.7792 -0.8292 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.2375 0.7708 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.6083 -0.8292 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 3 1 0 0 0^ 6 5 1 0 0 0^ 7 8 1 0 0 0^ 8 9 1 0 0 0^ 9 18 1 0 0 0^ 10 2 1 0 0 0^ 11 6 1 0 0 0^ 1 12 1 1 0 0^ 13 11 1 0 0 0^ 14 7 2 0 0 0^ 11 15 1 6 0 0^ 16 3 1 0 0 0^ 17 1 1 0 0 0^ 18 16 1 0 0 0^ 19 12 1 0 0 0^ 20 8 1 0 0 0^ 21 27 1 0 0 0^ 22 15 2 0 0 0^ 23 19 2 0 0 0^ 24 21 2 0 0 0^ 25 17 1 0 0 0^ 3 26 1 1 0 0^ 27 20 1 0 0 0^ 28 15 1 0 0 0^ 8 29 1 1 0 0^ 30 28 1 0 0 0^ 2 31 1 6 0 0^ 5 32 1 6 0 0^ 4 33 1 6 0 0^ 6 34 1 1 0 0^ 9 35 1 6 0 0^ 25 19 1 0 0 0^ 4 5 1 0 0 0^ 10 4 1 0 0 0^ 9 6 1 0 0 0^ 7 13 1 0 0 0^ 21 14 1 0 0 0^M END^^
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