COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524963
Chemical Name: methylN-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-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(C2CC[C@]1(O)C#C)C

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Molecular Weight: 536.67
Empirical Formula: C30H40N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.851
Rotatable bonds: 8
H-donors: 3
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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