Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: PIPAZETHATE
Compound Identifier: 701393
Mol Structure 2D: 701393
Molecular Weight: 400
Formula: C21 H25 N3 O3 S
Development Status: Preclinical
SMILES: O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222332D 0 0.00000 0.00000 0^^ 28 31 0 0 0 999 V2000^ -1.5083 -0.3542 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.5458 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5083 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5083 -2.6292 0.0000 S 0 0 0 0 0 0 0 0 0^ -2.4583 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4583 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4375 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.3917 1.2458 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.4833 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5458 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.4083 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4375 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4083 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3792 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4917 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4375 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3792 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4000 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4292 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3292 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4917 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4375 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 7 1 0 0 0^ 5 1 1 0 0 0^ 6 2 2 0 0 0^ 7 5 2 0 0 0^ 8 2 1 0 0 0^ 9 15 1 0 0 0^ 10 3 2 0 0 0^ 11 3 1 0 0 0^ 12 5 1 0 0 0^ 13 6 1 0 0 0^ 14 7 1 0 0 0^ 15 21 1 0 0 0^ 16 9 1 0 0 0^ 17 9 1 0 0 0^ 18 22 1 0 0 0^ 19 8 2 0 0 0^ 20 11 1 0 0 0^ 21 18 1 0 0 0^ 22 20 1 0 0 0^ 23 19 1 0 0 0^ 24 12 2 0 0 0^ 25 16 1 0 0 0^ 26 17 1 0 0 0^ 27 24 1 0 0 0^ 28 26 1 0 0 0^ 4 6 1 0 0 0^ 27 14 2 0 0 0^ 23 13 2 0 0 0^ 28 25 1 0 0 0^M END^^
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