Molecule

ID:127924

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆N₂OS₂
Molecular Mass
422.60604
Exact Mass
422.14865546
Charge
0
InChI
InChI=1S/C24H26N2OS2/c1-4-15-6-5-7-19-22(15)25-23(29-19)28-17-9-10-18-16(14-17)8-11-20-24(18,2)13-12-21(27)26(20)3/h5-7,9-10,14,20H,4,8,11-13H2,1-3H3/t20-,24-/m1/s1
InChIKey
VMGWGDPZHXPFTC-HYBUGGRVSA-N
Canonic Smiles
CCc1cccc2c1nc(s2)Sc1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC(=O)N1C
Isomeric Smiles
O=C1N(C)[C@@H]2CCc3cc(Sc4nc5c(cccc5s4)CC)ccc3[C@@]2(C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4808354
LogD (pH = 7.4)
6.4808526
Log P
6.4808526
Molar Refractivity
121.1714
Polarizability
48.215473
Polar Surface Area
33.2
Rotatable Bonds
3
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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