COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286792
Chemical Name: [4-(morpholin-4-yl)-3-nitrophenyl][(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: O=C(N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1

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Molecular Weight: 534.66
Empirical Formula: C27H26N4O4S2

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 5.203
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 147
Number of rings: 6

     

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