Viewing Compound With Structures

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Compound Report Overview

Compound Name: ETAQUINE
Compound Identifier: 705998
Mol Structure 2D: 705998
Molecular Weight: 463
Formula: C24 H28 F3 N3 O3
Development Status: Clinical, Phase II/III
SMILES: COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(NC(C)CCCN)c2n1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223142D 0 0.00000 0.00000 0^^ 33 35 0 0 0 999 V2000^ 4.7375 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.7375 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0125 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0125 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4542 -3.6750 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.1292 -1.2292 0.0000 C 0 0 3 0 0 0 0 0 0^ 5.4542 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1792 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0125 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.0125 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.8417 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1792 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5792 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1292 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0^ 0.3917 -0.8375 0.0000 F 0 0 0 0 0 0 0 0 0^ 0.3667 -1.6292 0.0000 F 0 0 0 0 0 0 0 0 0^ 2.5667 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.9042 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.9042 -6.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.4542 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.7375 -4.9125 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.8417 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5292 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2750 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1792 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6125 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.7375 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4542 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4542 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 2 0 0 0^ 4 2 2 0 0 0^ 5 2 1 0 0 0^ 6 13 1 0 0 0^ 7 1 1 0 0 0^ 8 3 1 0 0 0^ 9 8 2 0 0 0^ 10 14 1 0 0 0^ 11 3 1 0 0 0^ 12 4 1 0 0 0^ 13 15 2 0 0 0^ 14 7 2 0 0 0^ 15 16 1 0 0 0^ 16 11 1 0 0 0^ 17 6 1 0 0 0^ 18 6 1 0 0 0^ 19 6 1 0 0 0^ 20 8 1 0 0 0^ 21 10 1 0 0 0^ 22 28 1 0 0 0^ 23 7 1 0 0 0^ 24 12 1 0 0 0^ 25 26 2 0 0 0^ 26 27 1 0 0 0^ 27 16 2 0 0 0^ 28 33 1 0 0 0^ 29 20 1 0 0 0^ 30 21 1 0 0 0^ 31 24 1 0 0 0^ 32 24 1 0 0 0^ 33 31 1 0 0 0^ 10 5 2 0 0 0^ 9 4 1 0 0 0^ 25 13 1 0 0 0^M END^^
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