Molecule

ID:73241

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀ClN₅O₃
Molecular Mass
423.9369
Exact Mass
423.20371753
Charge
0
InChI
InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H
InChIKey
KTMLZVUAXJERAT-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCN(CC1)CCCNc1cc(=O)n(c(=O)n1C)C.Cl
Isomeric Smiles
n1(c(=O)n(c(cc1=O)NCCCN1CCN(CC1)c1ccccc1OC)C)C.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.3816706
LogD (pH = 7.4)
0.39269504
Log P
1.1826149
Molar Refractivity
119.3696
Polarizability
41.324097
Polar Surface Area
68.36
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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