COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK046082
Chemical Name: [2-(1,3-benzothiazol-2-yl-kappaN)-1,3-dicyclohexylguanidinato-kappaN](dibutyl)boron
Smiles: CCCC[B-]1(CCCC)N(C2CCCCC2)C(=Nc2[n+]1c1ccccc1s2)NC1CCCCC1

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Molecular Weight: 480.57
Empirical Formula: C28H45BN4S

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 1
H-acceptors: 0
PSA: 64
Number of rings: 5

     

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