COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540842
Chemical Name: tert-butyl[2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}amino)ethyl]carbamate
Smiles: CSCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 658.82
Empirical Formula: C33H46N4O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.198
Rotatable bonds: 11
H-donors: 4
H-acceptors: 8
PSA: 178
Number of rings: 3

     

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