COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538612
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]cholan-24-amide
Smiles: COCc1n[nH]/c(=N/C(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3[C@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)/s1

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Molecular Weight: 535.75
Empirical Formula: C28H45N3O5S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 2.085
Rotatable bonds: 6
H-donors: 4
H-acceptors: 5
PSA: 149
Number of rings: 5

     

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