Molecule

ID:132867

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₇N₇O₅S
Molecular Mass
523.64878
Exact Mass
523.25768832
Charge
0
InChI
InChI=1S/C23H37N7O5S/c1-14(22(34)35)28-21(33)18(13-15-7-4-3-5-8-15)30-20(32)17(9-6-11-27-23(25)26)29-19(31)16(24)10-12-36-2/h3-5,7-8,14,16-18H,6,9-13,24H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)(H,34,35)(H4,25,26,27)
InChIKey
UWTASUKCZNGRDU-UHFFFAOYSA-N
Canonic Smiles
CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)Cc1ccccc1)CCCNC(=N)N)N
Isomeric Smiles
CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)N
Calculated Properties
JChem
Acid pKa
-1.0077797
H Acceptors
9
H Donor
8
LogD (pH = 5.5)
-4.8945584
LogD (pH = 7.4)
-3.202698
Log P
-2.4480574
Molar Refractivity
147.523
Polarizability
53.44484
Polar Surface Area
212.52
Rotatable Bonds
16
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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