COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542856
Chemical Name: 6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]hexanamide
Smiles: COc1ccc2c(c1)c(c[nH]2)c1cs/c(=N/C(=O)CCCCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]1

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Molecular Weight: 725.87
Empirical Formula: C39H43N5O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.04
Rotatable bonds: 12
H-donors: 4
H-acceptors: 7
PSA: 177
Number of rings: 6

     

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