COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540812
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CC[C@H]([C@@H](C(=O)N1CCN(CC1)c1ccccc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 642.8
Empirical Formula: C37H46N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.573
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 109
Number of rings: 5

     

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