COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527267
Chemical Name: (1R,5aR,5bR,11aR)-3a-isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one
Smiles: O=C=NC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(=O)C3(C)C)C(=C)C

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Molecular Weight: 451.69
Empirical Formula: C30H45NO2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 9.479
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 46
Number of rings: 5

     

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