COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544629
Chemical Name: N-[(7S)-10-({(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(C)C)NC(=O)C

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Molecular Weight: 686.81
Empirical Formula: C38H46N4O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.131
Rotatable bonds: 6
H-donors: 2
H-acceptors: 8
PSA: 127
Number of rings: 6

     

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