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Compound Report Overview

Compound Name: CANDOXATRIL

Compound Identifier: 705968

Mol Structure 2D: 705968

Molecular Weight: 516

Formula: C29 H41 N O7

Development Status: Clinical, Phase II/III

SMILES: COCCOCC(CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)Oc3ccc4CCCc4c3

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100223132D 0 0.00000 0.00000 0^^ 40 43 0 1 0 999 V2000^ 2.9417 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0875 1.7833 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.2750 0.7125 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.9667 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5875 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.3250 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4458 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8625 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3750 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9000 -1.8542 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.9000 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9083 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2833 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2458 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0167 -3.1667 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.6458 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1042 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8542 -0.1292 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.2792 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7458 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6167 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1042 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4375 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9417 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5583 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6792 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3458 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0708 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.1208 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2333 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1875 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8833 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6250 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7792 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0792 1.6083 0.0000 H 0 0 0 0 0 0 0 0 0^ 3.5167 0.4000 0.0000 H 0 0 0 0 0 0 0 0 0^ 2.1792 -2.4167 0.0000 H 0 0 0 0 0 0 0 0 0^ 4 2 1 1 0 0^ 3 1 1 0 0 0^ 4 5 1 0 0 0^ 5 3 1 0 0 0^ 6 1 1 0 0 0^ 11 7 1 1 0 0^ 8 2 1 0 0 0^ 9 13 1 0 0 0^ 10 8 1 0 0 0^ 11 18 1 0 0 0^ 12 1 2 0 0 0^ 13 10 2 0 0 0^ 14 2 2 0 0 0^ 15 17 1 0 0 0^ 16 7 2 0 0 0^ 17 22 2 0 0 0^ 18 24 1 0 0 0^ 19 23 1 0 0 0^ 20 6 1 1 0 0^ 21 7 1 0 0 0^ 22 10 1 0 0 0^ 23 20 1 0 0 0^ 24 20 1 0 0 0^ 25 4 1 0 0 0^ 26 3 1 0 0 0^ 27 3 1 0 0 0^ 28 9 1 0 0 0^ 29 25 1 0 0 0^ 30 28 1 0 0 0^ 31 33 1 0 0 0^ 32 15 1 0 0 0^ 33 34 1 0 0 0^ 34 29 1 0 0 0^ 35 31 1 0 0 0^ 36 27 1 0 0 0^ 37 26 1 0 0 0^ 4 38 1 6 0 0^ 20 39 1 6 0 0^ 11 40 1 6 0 0^ 36 37 1 0 0 0^ 11 19 1 0 0 0^ 15 9 2 0 0 0^ 30 32 1 0 0 0^M END^^

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