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Compound Report Overview

Compound Name: UMISPIRONE
Compound Identifier: 705839
Mol Structure 2D: 705839
Molecular Weight: 513
Formula: C28 H40 N4 O5
Development Status: Clinical, Phase I
SMILES: CCCCN1C(=O)C2C(=O)N(CCCCN3CCN(CC3)c4ccccc4OC)C(=O)C(C1=O)C2(C)C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223092D 0 0.00000 0.00000 0^^ 39 42 0 0 0 999 V2000^ 11.1667 -3.7000 0.0000 N 0 0 3 0 0 0 0 0 0^ 12.5708 -3.7042 0.0000 N 0 0 3 0 0 0 0 0 0^ 13.2792 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.3542 -4.9250 0.0000 N 0 0 3 0 0 0 0 0 0^ 6.1750 -4.9208 0.0000 N 0 0 3 0 0 0 0 0 0^ 8.2542 -6.1250 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.2625 -6.1167 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.2667 -3.7208 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.2667 -3.7208 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.9348 -5.4976 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9416 -4.3515 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2374 -5.5039 0.0000 C 0 0 2 0 0 0 0 0 0^ 7.2338 -4.3453 0.0000 C 0 0 1 0 0 0 0 0 0^ 6.5932 -4.3521 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5923 -5.4919 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.1417 -4.9375 0.0000 C 0 0 3 0 0 0 0 0 0^ 6.5167 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.8292 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4708 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.1167 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4125 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0583 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.0583 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.4083 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.1125 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.4625 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.5177 -4.3114 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.2188 -4.3131 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.2231 -3.0934 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.5167 -3.0903 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.2806 -3.7052 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.6319 -4.3214 0.0000 C 0 0 0 0 0 0 0 0 0^ 14.3396 -4.3244 0.0000 C 0 0 0 0 0 0 0 0 0^ 14.6968 -3.7118 0.0000 C 0 0 0 0 0 0 0 0 0^ 14.3412 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.6347 -3.0951 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.6292 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2292 -3.6333 0.0000 H 0 0 0 0 0 0 0 0 0^ 7.2292 -6.2083 0.0000 H 0 0 0 0 0 0 0 0 0^ 13 14 1 0 0 0^ 20 21 1 0 0 0^ 14 5 1 0 0 0^ 21 22 1 0 0 0^ 5 15 1 0 0 0^ 4 23 1 0 0 0^ 15 12 1 0 0 0^ 23 24 1 0 0 0^ 11 13 1 0 0 0^ 24 25 1 0 0 0^ 13 16 1 1 0 0^ 25 26 1 0 0 0^ 26 1 1 0 0 0^ 1 27 1 0 0 0^ 12 16 1 1 0 0^ 14 9 2 0 0 0^ 11 8 2 0 0 0^ 15 7 2 0 0 0^ 1 30 1 0 0 0^ 27 28 1 0 0 0^ 28 2 1 0 0 0^ 2 29 1 0 0 0^ 29 30 1 0 0 0^ 10 6 2 0 0 0^ 31 32 2 0 0 0^ 16 17 1 0 0 0^ 32 33 1 0 0 0^ 12 10 1 0 0 0^ 33 34 2 0 0 0^ 16 18 1 0 0 0^ 34 35 1 0 0 0^ 10 4 1 0 0 0^ 35 36 2 0 0 0^ 36 31 1 0 0 0^ 2 31 1 0 0 0^ 36 3 1 0 0 0^ 5 19 1 0 0 0^ 3 37 1 0 0 0^ 4 11 1 0 0 0^ 13 38 1 6 0 0^ 19 20 1 0 0 0^ 12 39 1 6 0 0^M END^^
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