Molecule

ID:106526

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₃FN₄O₁₀
Molecular Mass
556.5380232
Exact Mass
556.2180715
Charge
0
InChI
InChI=1S/C24H33FN4O10/c1-13(26-24(37)39-12-15-7-5-4-6-8-15)21(34)28-17(11-30)22(35)29-20(14(2)31)23(36)27-16(18(32)10-25)9-19(33)38-3/h4-8,13-14,16-17,20,30-31H,9-12H2,1-3H3,(H,26,37)(H,27,36)(H,28,34)(H,29,35)/t13-,14+,16-,17-,20-/m0/s1
InChIKey
LICIOVKJUZZCAM-ACSCVQKFSA-N
Canonic Smiles
COC(=O)C[C@@H](C(=O)CF)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C)CO
Isomeric Smiles
COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)CF
Calculated Properties
JChem
Acid pKa
11.0833235
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-1.795352
LogD (pH = 7.4)
-1.7954308
Log P
-1.7953509
Molar Refractivity
129.9414
Polarizability
51.16657
Polar Surface Area
209.46
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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