COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524491
Chemical Name: methylN-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]histidinate
Smiles: C[C@@]12CC/C(=N/OCC(=O)NC(C(=O)OC)Cc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CCC1C(=O)C)C

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Molecular Weight: 538.69
Empirical Formula: C30H42N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.024
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 122
Number of rings: 5

     

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