Molecule

ID:105384

General Information
Structure
MolImage
Molecular Formula
C₃₀H₃₉N₅O₇
Molecular Mass
581.65996
Exact Mass
581.28494861
Charge
0
InChI
InChI=1S/C30H39N5O7/c1-18(2)26(30(41)42)34-29(40)24-9-6-14-35(24)25(37)17-32-28(39)23(16-20-10-12-21(36)13-11-20)33-27(38)22(31)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,26,36H,6,9,14-17,31H2,1-2H3,(H,32,39)(H,33,38)(H,34,40)(H,41,42)
InChIKey
MJAFJCRCGVXXTP-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cc1ccc(cc1)O)NC(=O)C(Cc1ccccc1)N)NCC(=O)N1CCCC1C(=O)NC(C(=O)O)C(C)C
Isomeric Smiles
CC(C)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6258414
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-1.3877311
LogD (pH = 7.4)
-1.5461255
Log P
-1.3899764
Molar Refractivity
153.0966
Polarizability
59.887184
Polar Surface Area
191.16
Rotatable Bonds
13
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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