Viewing Compound With Structures

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Compound Report Overview

Compound Name: LY-246736 DIHYDRATE
Compound Identifier: 703825
Mol Structure 2D: 703825
Molecular Weight: 425
Formula: C25 H32 N2 O4
Development Status: Clinical, Phase II/III
SMILES: CC1CN(CC(Cc2ccccc2)C(=O)NCC(=O)O)CCC1(C)c3cccc(O)c3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223222D 0 0.00000 0.00000 0^^ 31 33 0 1 0 999 V2000^ 2.6792 -2.6667 0.0000 C 0 0 1 0 0 0 0 0 0^ 5.5500 -3.5250 0.0000 C 0 0 2 0 0 0 0 0 0^ 6.2292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1167 -3.4917 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.9667 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4042 -2.2375 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.8292 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.9542 -3.5792 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.6875 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1167 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.3750 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5667 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2542 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2292 -4.7625 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4042 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.3750 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.6625 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5500 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.0792 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.2792 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6792 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1583 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.9667 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4042 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5500 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.9875 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6625 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.9875 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6625 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 7 1 0 0 0^ 3 2 1 0 0 0^ 4 15 1 0 0 0^ 1 5 1 1 0 0^ 6 1 1 0 0 0^ 7 4 1 0 0 0^ 8 3 1 0 0 0^ 9 1 1 0 0 0^ 10 6 1 0 0 0^ 11 17 1 0 0 0^ 2 12 1 6 0 0^ 13 5 1 0 0 0^ 14 3 2 0 0 0^ 15 9 1 0 0 0^ 16 11 2 0 0 0^ 17 8 1 0 0 0^ 18 13 2 0 0 0^ 19 11 1 0 0 0^ 20 12 1 0 0 0^ 21 1 1 0 0 0^ 22 18 1 0 0 0^ 23 5 2 0 0 0^ 6 24 1 1 0 0^ 25 23 1 0 0 0^ 26 25 2 0 0 0^ 27 20 1 0 0 0^ 28 20 2 0 0 0^ 29 28 1 0 0 0^ 30 27 2 0 0 0^ 31 29 2 0 0 0^ 4 10 1 0 0 0^ 26 18 1 0 0 0^ 31 30 1 0 0 0^M END^^
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