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ML375

CAT: 0931-T28068-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28068-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1488362-55-5
Target
Others, AChR
Related Pathways
Neuroscience, Others
Bioactivity
ML375 is a potent, selective and CNS penetrant M5 negative allosteric modulator (NAM) .
Smiles
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1
Molecular Formula
C23H15ClF2N2O2
Molecular Weight
424.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ML375
CAS Number1488362-55-5
PubChem CID71598521
IUPAC Name(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular FormulaC23H15ClF2N2O2
Molecular Weight424.8
XLogP4.3
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity701
SMILES
C1CN([C@]2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC(=C(C=C5)F)F
InChI
InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1
InChIKey
GXBAKXRLQAPKEE-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of ML375
CAS: 1488362-55-5
CID: 71598521
Formula: C23H15ClF2N2O2
MW: 424.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass424.0790117
Monoisotopic Mass424.0790117
Topological Polar Surface Area40.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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