COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL131712
Chemical Name: 3-[5-(4-ethylpiperazin-1-yl)-5-oxopentyl]-8-methoxy-2-thioxo-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCN1CCN(CC1)C(=O)CCCCn1c(=S)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC

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Molecular Weight: 443.57
Empirical Formula: C22H29N5O3S

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 1.537
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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