Molecule

ID:127656

General Information
Structure
MolImage
Molecular Formula
C₂₉H₃₅N₅O₇
Molecular Mass
565.6175
Exact Mass
565.25364849
Charge
0
InChI
InChI=1S/C29H35N5O7/c1-16(35)25(29(40)41)33-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)32-27(38)24-7-4-12-34(24)28(39)21(30)13-17-8-10-19(36)11-9-17/h2-3,5-6,8-11,15-16,21,23-25,31,35-36H,4,7,12-14,30H2,1H3,(H,32,38)(H,33,37)(H,40,41)
InChIKey
WEGGKZQIJMQCGR-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)CC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(O)C)Cc1c[nH]c2c1cccc2)N
Isomeric Smiles
Oc1ccc(cc1)CC(N)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)O)C(C)O
Calculated Properties
JChem
Acid pKa
3.3825753
H Acceptors
8
H Donor
7
LogD (pH = 5.5)
-1.7023021
LogD (pH = 7.4)
-1.8572388
Log P
-1.7057207
Molar Refractivity
148.3465
Polarizability
58.940468
Polar Surface Area
198.08
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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