COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546529
Chemical Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({(2S)-1-oxo-1-[4-(pyrrolidin-1-ylsulfonyl)-1,4-diazepan-1-yl]propan-2-yl}amino)-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)N1CCCN(CC1)S(=O)(=O)N1CCCC1)C)NC(=O)C

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Molecular Weight: 671.82
Empirical Formula: C33H45N5O8S

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: -0.317
Rotatable bonds: 5
H-donors: 2
H-acceptors: 8
PSA: 155
Number of rings: 5

     

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