COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552403
Chemical Name: N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-3-[4-(methylsulfanyl)phenyl]propanamide
Smiles: CSc1ccc(cc1)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1n[nH]c(n1)N

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Molecular Weight: 628.11
Empirical Formula: C29H30ClN5O7S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.149
Rotatable bonds: 8
H-donors: 5
H-acceptors: 7
PSA: 204
Number of rings: 5

     

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