Molecule

ID:129605

General Information
Structure
MolImage
Molecular Formula
C₂₉H₃₄ClN₃O
Molecular Mass
476.05276
Exact Mass
475.2390404
Charge
0
InChI
InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
InChIKey
SUGVYNSRNKFXQM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Cn1nc(cc1c1ccc(c(c1)C)Cl)C(=O)NC1C2(C)CCC(C1(C)C)C2
Isomeric Smiles
Cc1ccc(cc1)Cn1nc(cc1c1cc(C)c(cc1)Cl)C(=O)NC1C(C)(C)C2CC1(CC2)C
Calculated Properties
JChem
Acid pKa
14.337846
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.4478006
LogD (pH = 7.4)
7.447802
Log P
7.447802
Molar Refractivity
149.977
Polarizability
54.642063
Polar Surface Area
46.92
Rotatable Bonds
5
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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