COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525339
Chemical Name: 1,2-bis[(3aR,3bR,4aR,5aS)-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]ethane-1,2-dione
Smiles: CC1=NN([C@]2([C@@H]1[C@H]1[C@H](C1(C)C)C2)O)C(=O)C(=O)N1N=C([C@@H]2[C@@]1(O)C[C@@H]1[C@H]2C1(C)C)C

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Molecular Weight: 414.5
Empirical Formula: C22H30N4O4

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: -1.53
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 105
Number of rings: 6

     

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