COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541523
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-4-methyl-1-oxo-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pentan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCN(CC2)C/C=C/c2ccccc2)CC(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 682.86
Empirical Formula: C40H50N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.488
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 109
Number of rings: 5

     

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