COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801802
Chemical Name: [(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]aceticacid(non-preferredname)
Smiles: OC(=O)C[C@@H]1OCC=C2[C@H]3[C@@H]1[C@@H]1NC4=C([N+](=O)[O-])C(=O)C(=O)C=C4[C@@]41[C@H](C3)N(C2)CC4

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Molecular Weight: 427.41
Empirical Formula: C21H21N3O7

Physical State: Dry powder
Available Amount: 1002 mg

Lipinsky:
logP: -1.082
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 6

     

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