COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542192
Chemical Name: N-[(7S)-10-({(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CC[C@H]([C@@H](C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 700.83
Empirical Formula: C39H48N4O8

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.662
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 127
Number of rings: 6

     

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