COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565153
Chemical Name: methyl(5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-met
Smiles: COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)N)O)(CC)C=CC1

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Saltdata: H2SO4
Molecular Weight: 753.94
Empirical Formula: C43H55N5O7

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 3.827
Rotatable bonds: 5
H-donors: 6
H-acceptors: 7
PSA: 164
Number of rings: 9

     

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