COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537064
Chemical Name: 2-hydroxy-3,3-dimethyl-4-{[({[(3Z)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}butanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CO/N=C\1/CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C

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Molecular Weight: 516.68
Empirical Formula: C29H44N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.004
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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