COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528673
Chemical Name: N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glycyltryptophan
Smiles: O=C(NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

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Molecular Weight: 646.78
Empirical Formula: C36H46N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.692
Rotatable bonds: 11
H-donors: 5
H-acceptors: 7
PSA: 170
Number of rings: 6

     

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