COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551929
Chemical Name: 3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl]-3-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC

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Molecular Weight: 741.84
Empirical Formula: C41H47N3O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.058
Rotatable bonds: 10
H-donors: 3
H-acceptors: 10
PSA: 173
Number of rings: 5

     

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