COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546154
Chemical Name: N-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glycylvaline
Smiles: O=C(NCC(=O)NC(C(=O)O)C(C)C)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

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Molecular Weight: 543.7
Empirical Formula: C30H45N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.949
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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