COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889296
Chemical Name: (7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Smiles: C=CCNC(=S)N1N=C2C(C1c1ccc(cc1)OC)CCC/C/2=C\c1ccc(cc1)OC

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Molecular Weight: 447.6
Empirical Formula: C26H29N3O2S

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 4.818
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 78
Number of rings: 4

     

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