Viewing Compound With Structures

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Compound Report Overview

Compound Name: ICI-D0870
Compound Identifier: 703513
Mol Structure 2D: 703513
Molecular Weight: 538
Formula: C24 H20 F6 N6 O2
Development Status: Clinical, Phase II/III
SMILES: OC(Cn1cncn1)(Cn2cnc(C=Cc3ccc(OCC(F)(F)C(F)F)cc3)n2)c4ccc(F)cc4F
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223182D 0 0.00000 0.00000 0^^ 38 41 0 1 0 999 V2000^ -2.0000 -0.0292 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.8000 1.1583 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.2833 -0.5542 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.0458 -0.0292 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.5375 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0000 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0833 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6833 -0.5792 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.9458 -0.0292 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.5333 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8250 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4208 0.2625 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.4750 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5333 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1458 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3000 0.8625 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.4000 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5333 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4958 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3167 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2792 1.4083 0.0000 F 0 0 0 0 0 0 0 0 0^ 3.3042 1.4083 0.0000 F 0 0 0 0 0 0 0 0 0^ -2.5458 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8167 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0833 -0.7000 0.0000 F 0 0 0 0 0 0 0 0 0^ 1.3667 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4958 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.7875 1.1583 0.0000 F 0 0 0 0 0 0 0 0 0^ 4.3000 0.3750 0.0000 F 0 0 0 0 0 0 0 0 0^ 2.3417 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0000 -2.3792 0.0000 F 0 0 0 0 0 0 0 0 0^ 1.3667 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8667 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8667 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3417 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 21 1 0 0 0^ 3 11 2 0 0 0^ 4 10 1 0 0 0^ 5 4 1 0 0 0^ 6 1 1 0 0 0^ 7 5 2 0 0 0^ 8 16 2 0 0 0^ 9 13 1 0 0 0^ 10 1 1 0 0 0^ 11 4 1 0 0 0^ 12 9 1 0 0 0^ 13 1 1 0 0 0^ 14 6 1 0 0 0^ 15 12 2 0 0 0^ 16 9 1 0 0 0^ 17 2 1 0 0 0^ 18 7 1 0 0 0^ 19 14 2 0 0 0^ 20 6 2 0 0 0^ 21 26 1 0 0 0^ 22 18 2 0 0 0^ 23 2 1 0 0 0^ 24 2 1 0 0 0^ 1 25 1 6 0 0^ 26 33 1 0 0 0^ 27 30 2 0 0 0^ 28 14 1 0 0 0^ 29 22 1 0 0 0^ 30 20 1 0 0 0^ 31 17 1 0 0 0^ 32 17 1 0 0 0^ 33 38 2 0 0 0^ 34 27 1 0 0 0^ 35 29 1 0 0 0^ 36 29 2 0 0 0^ 37 35 2 0 0 0^ 38 36 1 0 0 0^ 15 8 1 0 0 0^ 3 7 1 0 0 0^ 27 19 1 0 0 0^ 33 37 1 0 0 0^M END^^
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