COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK835735
Chemical Name: ethyl2-[({4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]phenyl}carbonyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C[C@@H]3C=C2)sc2c1CC(C)(C)OC2

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Molecular Weight: 520.61
Empirical Formula: C28H28N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.469
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 130
Number of rings: 6

     

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