Molecule

ID:133846

General Information
Structure
MolImage
Molecular Formula
C₃₄H₃₇N₇O₄
Molecular Mass
607.70208
Exact Mass
607.2907027
Charge
0
InChI
InChI=1S/C34H37N7O4/c1-20(39-33(44)26(35)16-22-18-37-27-13-7-5-11-24(22)27)32(43)41-30(17-23-19-38-28-14-8-6-12-25(23)28)34(45)40-29(31(36)42)15-21-9-3-2-4-10-21/h2-14,18-20,26,29-30,37-38H,15-17,35H2,1H3,(H2,36,42)(H,39,44)(H,40,45)(H,41,43)
InChIKey
UGYIWLNWSAOAAA-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)N
Isomeric Smiles
CC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C(Cc1c[nH]c2c1cccc2)N
Calculated Properties
JChem
Acid pKa
12.087803
H Acceptors
5
H Donor
7
LogD (pH = 5.5)
0.06437097
LogD (pH = 7.4)
1.7229006
Log P
2.171292
Molar Refractivity
170.2417
Polarizability
68.38688
Polar Surface Area
187.99
Rotatable Bonds
13
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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