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P53-MDM2-IN-1

CAT: 0127-BUP07714-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07714-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
381717-91-5
Purity
=98%
Smiles
C(=O)(C=1C(N(CCCN2C=CN=C2)C(=O)C1O)C3=CC=C(Cl)C=C3)C4=CC=CC=C4

Chemical Information

1-(3-(1H-Imidazol-1-yl)propyl)-5-(4-chlorophenyl)-4-(hydroxy(phenyl)methylene)pyrrolidine-2,3-dione
CAS Number381717-91-5
PubChem CID6049382
IUPAC Name(4E)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Molecular FormulaC23H20ClN3O3
Molecular Weight421.9
XLogP3.7
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity669
SMILES
C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)Cl)/O
InChI
InChI=1S/C23H20ClN3O3/c24-18-9-7-16(8-10-18)20-19(21(28)17-5-2-1-3-6-17)22(29)23(30)27(20)13-4-12-26-14-11-25-15-26/h1-3,5-11,14-15,20,28H,4,12-13H2/b21-19+
InChIKey
JBSITHXZPKMWGY-XUTLUUPISA-N
Chemical Structure
2D Structure
2D structure of 1-(3-(1H-Imidazol-1-yl)propyl)-5-(4-chlorophenyl)-4-(hydroxy(phenyl)methylene)pyrrolidine-2,3-dione
CAS: 381717-91-5
CID: 6049382
Formula: C23H20ClN3O3
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass421.1193192
Monoisotopic Mass421.1193192
Topological Polar Surface Area75.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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