COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379950
Chemical Name: 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide(non-preferredname)
Smiles: CSCCC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 527.6
Empirical Formula: C29H25N3O5S

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 5.754
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 6

     

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