COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539444
Chemical Name: 4-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 461.56
Empirical Formula: C27H31N3O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.941
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 79
Number of rings: 5

     

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