COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541449
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-valyl}amino)ethyl]carbamate
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C(C)C)NC(=O)C

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Molecular Weight: 626.75
Empirical Formula: C33H46N4O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.27
Rotatable bonds: 9
H-donors: 4
H-acceptors: 8
PSA: 153
Number of rings: 3

     

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