COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK393033
Chemical Name: N-{2-[(2E)-2-{1-[(3aS,4R,9bR)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidene}hydrazinyl]-2-oxoethyl}-N-(2-nitrophenyl)benzenesulfonamide(non-preferredname)
Smiles: O=C(CN(S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-])N/N=C(/c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)F)\C

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Molecular Weight: 639.71
Empirical Formula: C34H30FN5O5S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 5.02
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 6

     

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