COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676307
Chemical Name: 1,5-bis(3-bromopropanoyl)-4-methyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Smiles: BrCCC(=O)N1C(C)CC(=O)N(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCBr

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Molecular Weight: 491.14
Empirical Formula: C16H17Br2N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.698
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 2

     

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