COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540054
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-4-(methylsulfanyl)-1-oxo-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}butan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CSCC[C@@H](C(=O)N1CCN(CC1)C/C=C/c1ccccc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 700.9
Empirical Formula: C39H48N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.129
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 134
Number of rings: 5

     

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