Molecule

ID:133822

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₇N₅O₅
Molecular Mass
487.59178
Exact Mass
487.27946931
Charge
0
InChI
InChI=1S/C25H37N5O5/c1-14(2)11-20(30-23(32)16(4)27)25(34)29-19(7-5-6-10-26)24(33)28-17-8-9-18-15(3)12-22(31)35-21(18)13-17/h8-9,12-14,16,19-20H,5-7,10-11,26-27H2,1-4H3,(H,28,33)(H,29,34)(H,30,32)
InChIKey
FHYIXLQAMONDNN-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)C(NC(=O)C(N)C)CC(C)C
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)N
Calculated Properties
JChem
Acid pKa
12.065637
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-4.4654617
LogD (pH = 7.4)
-2.3561041
Log P
1.0142704
Molar Refractivity
134.1278
Polarizability
51.85356
Polar Surface Area
165.64
Rotatable Bonds
12
Lipinski's Rule of Five
true
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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