COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544261
Chemical Name: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]hexanamide
Smiles: COCc1n[nH]/c(=N\C(=O)CCCCCNc2ccc3c(cc2=O)[C@H](CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/s1

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Molecular Weight: 625.75
Empirical Formula: C31H39N5O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.689
Rotatable bonds: 11
H-donors: 3
H-acceptors: 7
PSA: 174
Number of rings: 4

     

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