Viewing Compound With Structures

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Compound Report Overview

Compound Name: KRN-5500
Compound Identifier: 703629
Mol Structure 2D: 703629
Molecular Weight: 590
Formula: C28 H43 N7 O7
Development Status: Clinical, Phase I
SMILES: CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3[nH]cnc23)OC1C(O)CO
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223202D 0 0.00000 0.00000 0^^ 42 44 0 1 0 999 V2000^ 1.0417 -0.0917 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.8250 0.3625 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.4292 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0417 0.3625 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.8250 -0.0917 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.4292 -0.3292 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.5875 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1917 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1917 0.5833 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.5875 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0375 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.6542 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.0542 1.8708 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.8292 1.2583 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2042 1.9583 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.3000 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6542 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4708 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8292 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6542 0.5958 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.1000 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.8708 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2333 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6083 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0042 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4833 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.1917 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.4292 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2667 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2667 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2667 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.6542 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3625 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7458 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.0208 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.6458 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8833 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2708 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1250 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5083 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.3958 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 4 3 1 6 0 0^ 4 1 1 0 0 0^ 5 6 1 0 0 0^ 6 1 1 0 0 0^ 7 8 1 0 0 0^ 8 9 1 0 0 0^ 2 9 1 6 0 0^ 10 7 2 0 0 0^ 11 7 1 0 0 0^ 1 12 1 1 0 0^ 13 10 1 0 0 0^ 14 8 2 0 0 0^ 15 19 2 0 0 0^ 16 11 2 0 0 0^ 17 12 1 0 0 0^ 18 21 1 0 0 0^ 19 14 1 0 0 0^ 20 4 1 0 0 0^ 21 30 1 0 0 0^ 22 18 1 0 0 0^ 23 22 2 0 0 0^ 24 23 1 0 0 0^ 25 17 2 0 0 0^ 26 18 2 0 0 0^ 5 27 1 6 0 0^ 6 28 1 6 0 0^ 29 24 2 0 0 0^ 30 17 1 0 0 0^ 31 20 1 0 0 0^ 32 33 1 0 0 0^ 20 33 1 6 0 0^ 34 29 1 0 0 0^ 35 34 1 0 0 0^ 36 37 1 0 0 0^ 37 39 1 0 0 0^ 38 41 1 0 0 0^ 39 38 1 0 0 0^ 40 35 1 0 0 0^ 41 40 1 0 0 0^ 42 36 1 0 0 0^ 3 2 1 0 0 0^ 15 10 1 0 0 0^ 16 13 1 0 0 0^M END^^
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