COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550589
Chemical Name: N-[(7S)-10-({(2S)-1-[3-(1,3-benzothiazol-2-yl)piperidin-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)N1CCCC(C1)c1nc2c(s1)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 698.88
Empirical Formula: C39H46N4O6S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 5.098
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 147
Number of rings: 6

     

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