COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK717247
Chemical Name: 3-[(trans-4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](CC1)Cn1nnc2c(c1=O)cccc2

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Molecular Weight: 489.57
Empirical Formula: C27H31N5O4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.123
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 6

     

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