COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561581
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-N-(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-12-oxo-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoli
Smiles: COc1cc2c(O)nc(nc2cc1OC)CSCCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)NC(=O)C

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Molecular Weight: 670.79
Empirical Formula: C35H38N6O6S

Available Amount: 0 mg

Lipinsky:
logP: 0.164
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 171
Number of rings: 7

     

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