COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL006566
Chemical Name: N-[4-amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}butan-2-yl)am
Smiles: NCCC(C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CCCC(CC)C)CCN

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Saltdata: H2SO4
Molecular Weight: 1155.45
Empirical Formula: C52H98N16O13

Available Amount: 0 mg

Lipinsky:
logP: -3.679
Rotatable bonds: 30
H-donors: 23
H-acceptors: 13
PSA: 490
Number of rings: 1

     

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