COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383841
Chemical Name: 4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl(2E)-3-(4-methoxyphenyl)prop-2-enoate
Smiles: COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(C)C

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Molecular Weight: 530.69
Empirical Formula: C31H34N2O4S

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 7.089
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 108
Number of rings: 5

     

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