COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006365
Chemical Name: (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1nc2c([nH]1)cccc2

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Molecular Weight: 510.55
Empirical Formula: C29H26N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.707
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 114
Number of rings: 5

     

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