Viewing Compound With Structures

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Compound Report Overview

Compound Name: LEXACALCITOL
Compound Identifier: 703343
Mol Structure 2D: 703343
Molecular Weight: 461
Formula: C29 H48 O4
Development Status: Clinical, Phase II/III
SMILES: CCC(O)(CC)CCCOC(C)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223152D 0 0.00000 0.00000 0^^ 35 37 0 1 0 999 V2000^ -0.7333 0.7625 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.0000 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3333 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7333 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.0167 0.9708 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.0000 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3333 -3.4000 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.3833 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3833 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0167 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0000 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6583 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6583 -3.4000 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.7000 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0167 1.7208 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.2167 2.0875 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.3833 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7000 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7333 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9292 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2958 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6542 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0375 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2167 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8667 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5792 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6333 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2917 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9292 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.5167 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8542 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7333 -0.8542 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.7167 1.3875 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 6 2 0 0 0^ 3 2 1 0 0 0^ 4 1 1 0 0 0^ 5 1 1 0 0 0^ 6 9 1 0 0 0^ 7 3 1 0 0 0^ 8 4 1 0 0 0^ 9 8 2 0 0 0^ 10 4 1 0 0 0^ 11 5 1 0 0 0^ 12 14 1 0 0 0^ 13 2 1 0 0 0^ 14 13 1 0 0 0^ 15 3 2 0 0 0^ 16 5 1 0 0 0^ 17 28 1 0 0 0^ 18 1 1 0 0 0^ 7 19 1 1 0 0^ 1 20 1 1 0 0^ 21 17 1 0 0 0^ 14 22 1 6 0 0^ 23 25 1 0 0 0^ 24 16 1 0 0 0^ 25 18 1 0 0 0^ 26 17 1 0 0 0^ 27 17 1 0 0 0^ 28 31 1 0 0 0^ 16 29 1 1 0 0^ 30 24 1 0 0 0^ 31 30 1 0 0 0^ 32 27 1 0 0 0^ 33 26 1 0 0 0^ 4 34 1 6 0 0^ 5 35 1 6 0 0^ 11 10 1 0 0 0^ 23 8 1 0 0 0^ 12 7 1 0 0 0^M END^^
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