COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547541
Chemical Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({6-oxo-6-[4-(pyrrolidin-1-ylsulfonyl)-1,4-diazepan-1-yl]hexyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCCN(CC1)S(=O)(=O)N1CCCC1)NC(=O)C

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Molecular Weight: 713.9
Empirical Formula: C36H51N5O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.047
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 155
Number of rings: 5

     

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