COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565216
Chemical Name: ethyl(2Z)-2-{[2-chloro-4-(4-methylpiperazin-1-yl)-5-nitrophenyl]carbonyl}-3-(cyclopropylamino)prop-2-enoate
Smiles: CCOC(=O)/C(=C\NC1CC1)/C(=O)c1cc([N+](=O)[O-])c(cc1Cl)N1CCN(CC1)C

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Saltdata: HCl
Molecular Weight: 436.9
Empirical Formula: C20H25ClN4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.255
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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