COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552215
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-{1-[(4-hydroxyquinazolin-2-yl)methyl]piperidin-4-yl}-3-(3,4,5-trimethoxyphenyl)propanamid
Smiles: COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CCN(CC1)Cc1nc(O)c2c(n1)cccc2

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Molecular Weight: 796.92
Empirical Formula: C44H52N4O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.696
Rotatable bonds: 10
H-donors: 4
H-acceptors: 10
PSA: 189
Number of rings: 6

     

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