COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK665862
Chemical Name: 12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
Smiles: CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C

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Saltdata: CH3SO3H
Molecular Weight: 577.72
Empirical Formula: C32H43N5O5

Available Amount: 0 mg

Lipinsky:
logP: 4.028
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 118
Number of rings: 7

     

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