Viewing Compound With Structures

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Compound Report Overview

Compound Name: PICUMETEROL
Compound Identifier: 702409
Mol Structure 2D: 702409
Molecular Weight: 426
Formula: C21 H29 Cl2 N3 O2
Development Status: Clinical, Phase II/III
SMILES: Nc1c(Cl)cc(cc1Cl)C(O)CNCCCCCCOCCc2ccccn2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222532D 0 0.00000 0.00000 0^^ 28 29 0 1 0 999 V2000^ -3.5000 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7625 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4958 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0208 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0208 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7583 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6042 -0.1375 0.0000 N 0 0 0 0 0 0 0 0 0^ -4.2375 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.2208 1.4458 0.0000 C 0 0 1 0 0 0 0 0 0^ -4.2333 1.5583 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -2.7708 -1.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 2.8750 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4458 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.0167 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2083 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1417 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4583 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0167 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3500 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8792 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1417 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3417 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3417 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3833 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3833 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6167 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 1 1 0 0 0^ 4 6 1 0 0 0^ 5 2 1 0 0 0^ 6 3 2 0 0 0^ 7 12 1 0 0 0^ 8 1 1 0 0 0^ 9 4 1 0 0 0^ 10 3 1 0 0 0^ 11 2 1 0 0 0^ 12 14 1 0 0 0^ 13 17 1 0 0 0^ 14 19 1 0 0 0^ 9 15 1 1 0 0^ 16 22 1 0 0 0^ 17 9 1 0 0 0^ 18 7 2 0 0 0^ 19 16 1 0 0 0^ 20 13 1 0 0 0^ 21 12 2 0 0 0^ 22 24 1 0 0 0^ 23 20 1 0 0 0^ 24 25 1 0 0 0^ 25 26 1 0 0 0^ 26 23 1 0 0 0^ 27 28 2 0 0 0^ 28 21 1 0 0 0^ 4 5 2 0 0 0^ 27 18 1 0 0 0^M END^^
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