COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407717
Chemical Name: N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Smiles: COCc1n[nH]/c(=N\C(=O)c2[nH]nc3c2CCCCC3)/s1

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Molecular Weight: 307.38
Empirical Formula: C13H17N5O2S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 1.086
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 117
Number of rings: 3

     

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