COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195317
Chemical Name: ethyl4-(4-benzylpiperazin-1-yl)-3-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 549.03
Empirical Formula: C29H29ClN4O5

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 5.892
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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