Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: KRP-297
Compound Identifier: 704124
Mol Structure 2D: 704124
Molecular Weight: 438
Formula: C20 H17 F3 N2 O4 S
Development Status: Discontinued at Phase II/III (Nov, 2003)
SMILES: COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc3ccc(cc3)C(F)(F)F
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223272D 0 0.00000 0.00000 0^^ 30 32 0 0 0 999 V2000^ 8.1583 -5.2292 0.0000 N 0 0 0 0 0 0 0 0 0^ 9.2292 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.1375 -6.4500 0.0000 O 0 0 0 0 0 0 0 0 0^ 12.1704 -5.1661 0.0000 N 0 0 0 0 0 0 0 0 0^ 11.5776 -4.8016 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.0346 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.0486 -5.2716 0.0000 S 0 0 0 0 0 0 0 0 0^ 11.3487 -5.8980 0.0000 C 0 0 3 0 0 0 0 0 0^ 11.5090 -4.1049 0.0000 O 0 0 0 0 0 0 0 0 0^ 12.5126 -6.3469 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.8498 -6.4709 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.9942 -6.5065 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.2178 -5.8560 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.2128 -7.1544 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.2975 -6.5022 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9081 -7.1529 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9538 -5.8595 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.8699 -5.2390 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7720 -7.0571 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.8138 -4.6147 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.1055 -4.6075 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7616 -3.9904 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0540 -3.9828 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6928 -4.5931 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0445 -5.2122 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7510 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9845 -4.5867 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.6358 -3.9702 0.0000 F 0 0 0 0 0 0 0 0 0^ 4.6249 -5.1970 0.0000 F 0 0 0 0 0 0 0 0 0^ 4.2750 -4.5792 0.0000 F 0 0 0 0 0 0 0 0 0^ 17 15 2 0 0 0^ 8 7 1 0 0 0^ 11 14 1 0 0 0^ 13 18 1 0 0 0^ 11 3 1 0 0 0^ 5 4 1 0 0 0^ 3 19 1 0 0 0^ 18 2 2 0 0 0^ 18 1 1 0 0 0^ 6 4 1 0 0 0^ 1 20 1 0 0 0^ 7 5 1 0 0 0^ 20 21 1 0 0 0^ 8 6 1 0 0 0^ 21 22 2 0 0 0^ 9 5 2 0 0 0^ 22 23 1 0 0 0^ 10 6 2 0 0 0^ 23 24 2 0 0 0^ 11 13 2 0 0 0^ 24 25 1 0 0 0^ 12 8 1 0 0 0^ 25 26 2 0 0 0^ 26 21 1 0 0 0^ 13 17 1 0 0 0^ 24 27 1 0 0 0^ 14 16 2 0 0 0^ 27 28 1 0 0 0^ 15 12 1 0 0 0^ 27 29 1 0 0 0^ 16 15 1 0 0 0^ 27 30 1 0 0 0^M END^^
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