Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: NB-506
Compound Identifier: 707165
Mol Structure 2D: 707165
Molecular Weight: 562
Formula: C27 H22 N4 O10
Development Status: Discontinued at Phase I
SMILES: OCC1OC(C(O)C(O)C1O)n2c3c(O)cccc3c4c5C(=O)N(NC=O)C(=O)c5c6c7cccc(O)c7[nH]c6c24
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223212D 0 0.00000 0.00000 0^^ 41 47 0 1 0 999 V2000^ 0.7792 -0.3542 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.0250 2.1750 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.5417 -1.6917 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.4708 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5417 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3667 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2625 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3542 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2583 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6875 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5750 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5417 -2.2792 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.6875 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.0208 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3292 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2208 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2208 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0208 -2.6042 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.5208 -2.3042 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.5208 -1.6917 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.0250 2.8083 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.1167 2.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0500 2.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7625 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5792 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1000 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5792 3.7833 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.0208 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0500 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8792 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7625 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8792 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7625 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5875 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3125 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4250 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4250 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3125 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 1 1 1 0 0^ 4 7 1 0 0 0^ 5 8 1 0 0 0^ 6 1 1 0 0 0^ 7 8 1 0 0 0^ 8 10 2 0 0 0^ 9 6 2 0 0 0^ 10 6 1 0 0 0^ 11 9 1 0 0 0^ 12 1 1 0 0 0^ 13 3 1 0 0 0^ 14 9 1 0 0 0^ 15 3 1 0 0 0^ 16 12 1 0 0 0^ 17 11 1 0 0 0^ 18 14 1 0 0 0^ 19 13 1 0 0 0^ 20 21 1 0 0 0^ 21 15 1 0 0 0^ 22 2 1 0 0 0^ 23 5 2 0 0 0^ 24 4 2 0 0 0^ 25 12 2 0 0 0^ 26 18 1 0 0 0^ 27 22 1 0 0 0^ 13 28 1 6 0 0^ 29 27 2 0 0 0^ 19 30 1 1 0 0^ 20 31 1 6 0 0^ 32 16 2 0 0 0^ 33 17 1 0 0 0^ 21 34 1 1 0 0^ 35 25 1 0 0 0^ 36 26 1 0 0 0^ 37 34 1 0 0 0^ 38 33 2 0 0 0^ 39 40 2 0 0 0^ 40 25 1 0 0 0^ 41 26 2 0 0 0^ 16 10 1 0 0 0^ 7 11 2 0 0 0^ 39 32 1 0 0 0^ 18 17 2 0 0 0^ 20 19 1 0 0 0^ 2 4 1 0 0 0^ 41 38 1 0 0 0^M END^^
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