Viewing Compound With Structures

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Compound Report Overview

Compound Name: BEPAFANT
Compound Identifier: 705882
Mol Structure 2D: 705882
Molecular Weight: 468
Formula: C23 H22 Cl N5 O2 S
Development Status: Clinical, Phase I
SMILES: Cc1nnc2CN=C(c3c4CC(Cc4sc3-n12)C(=O)N5CCOCC5)c6ccccc6Cl
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223102D 0 0.00000 0.00000 0^^ 32 37 0 0 0 999 V2000^ -0.4333 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5583 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5333 -0.8625 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.1042 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2625 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4000 0.8208 0.0000 S 0 0 0 0 0 0 0 0 0^ -0.4333 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5333 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6875 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.5375 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0^ -4.2208 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.5375 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7000 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9375 1.7833 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.5375 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1667 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5917 1.6583 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.0583 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7625 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9042 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7000 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2667 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5542 -3.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 0.9750 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4542 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7083 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4292 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2667 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7792 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7875 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2167 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 2 1 0 0 0^ 4 1 1 0 0 0^ 5 1 1 0 0 0^ 6 2 1 0 0 0^ 7 4 2 0 0 0^ 8 3 1 0 0 0^ 9 5 2 0 0 0^ 10 8 2 0 0 0^ 11 12 2 0 0 0^ 12 3 1 0 0 0^ 13 14 1 0 0 0^ 14 16 1 0 0 0^ 15 5 1 0 0 0^ 16 4 1 0 0 0^ 17 13 1 0 0 0^ 18 7 1 0 0 0^ 19 9 1 0 0 0^ 20 15 1 0 0 0^ 21 13 2 0 0 0^ 22 29 1 0 0 0^ 23 20 1 0 0 0^ 24 15 2 0 0 0^ 25 17 1 0 0 0^ 26 17 1 0 0 0^ 27 12 1 0 0 0^ 28 25 1 0 0 0^ 29 26 1 0 0 0^ 30 20 2 0 0 0^ 31 24 1 0 0 0^ 32 31 2 0 0 0^ 7 6 1 0 0 0^ 19 8 1 0 0 0^ 14 18 1 0 0 0^ 11 10 1 0 0 0^ 32 30 1 0 0 0^ 22 28 1 0 0 0^M END^^
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