COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524388
Chemical Name: (2E)-2-[(5alpha,8xi,9xi,14xi,20E)-3-hydroxypregn-16-en-20-ylidene]hydrazinecarbothioamide
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2/C(=N/NC(=S)N)/C)C)C

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Molecular Weight: 389.61
Empirical Formula: C22H35N3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.799
Rotatable bonds: 2
H-donors: 4
H-acceptors: 1
PSA: 102
Number of rings: 4

     

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