Molecule

ID:64862

General Information
Structure
MolImage
Molecular Formula
C₃₂H₃₅N₅O₅
Molecular Mass
569.6508
Exact Mass
569.26381925
Charge
0
InChI
InChI=1S/C32H35N5O5/c1-32(2,3)42-30(39)33-19-11-10-17-27(29(38)37-28-18-9-8-16-26(28)35-36-37)34-31(40)41-20-25-23-14-6-4-12-21(23)22-13-5-7-15-24(22)25/h4-9,12-16,18,25,27H,10-11,17,19-20H2,1-3H3,(H,33,39)(H,34,40)/t27-/m0/s1
InChIKey
UHKATSNDLAHCNR-MHZLTWQESA-N
Canonic Smiles
O=C(N[C@H](C(=O)n1nnc2c1cccc2)CCCCNC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
[C@@H](C(=O)n1nnc2c1cccc2)(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2c(cccc2)c2c1cccc2
Calculated Properties
JChem
Acid pKa
12.541822
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
5.2499504
LogD (pH = 7.4)
5.2499475
Log P
5.249951
Molar Refractivity
157.447
Polarizability
63.22644
Polar Surface Area
124.44
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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