Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: CLOMETOCILLIN
Compound Identifier: 701382
Mol Structure 2D: 701382
Molecular Weight: 433
Formula: C17 H18 Cl2 N2 O5 S
Development Status: Preclinical
SMILES: COC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(Cl)c(Cl)c3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222332D 0 0.00000 0.00000 0^^ 30 32 0 1 0 999 V2000^ 5.6917 -3.0667 0.0000 N 0 0 3 0 0 0 0 0 0^ 5.6917 -2.3542 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.9750 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9750 -2.3542 0.0000 C 0 0 1 0 0 0 0 0 0^ 6.3708 -3.2708 0.0000 C 0 0 2 0 0 0 0 0 0^ 6.3708 -2.1417 0.0000 S 0 0 0 0 0 0 0 0 0^ 6.7708 -2.7000 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.0875 -2.5167 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.5042 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.9375 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8667 -2.5375 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.6792 -2.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1500 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4792 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5042 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1500 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8708 -4.4000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2917 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7333 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4458 -2.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 7.5750 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4458 -4.0458 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 7.3250 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.3625 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8708 -1.8250 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4292 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6917 -1.6500 0.0000 H 0 0 0 0 0 0 0 0 0^ 4.8542 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0^ 5.8667 -3.7833 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 3 1 0 0 0^ 5 1 1 0 0 0^ 6 2 1 0 0 0^ 7 5 1 0 0 0^ 4 8 1 1 0 0^ 9 8 1 0 0 0^ 5 10 1 6 0 0^ 11 12 1 0 0 0^ 12 9 1 0 0 0^ 13 11 1 0 0 0^ 14 13 2 0 0 0^ 15 3 2 0 0 0^ 16 9 2 0 0 0^ 17 20 2 0 0 0^ 18 10 2 0 0 0^ 19 11 2 0 0 0^ 20 19 1 0 0 0^ 21 14 1 0 0 0^ 22 10 1 0 0 0^ 23 17 1 0 0 0^ 24 7 1 0 0 0^ 25 7 1 0 0 0^ 26 12 1 0 0 0^ 27 26 1 0 0 0^ 2 28 1 6 0 0^ 4 29 1 6 0 0^ 5 30 1 1 0 0^ 7 6 1 0 0 0^ 4 2 1 0 0 0^ 17 14 1 0 0 0^M END^^
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