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Mcl1-IN-4 5mg

CAT: 0628-A18386-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18386-5Size:5 mg
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CAS Number
1580484-04-3

Chemical Information

Mcl1-IN-4
CAS Number1580484-04-3
PubChem CID76310973
IUPAC Name4-(4-methylnaphthalen-1-yl)-2-[(3-morpholin-4-ylphenyl)sulfonylamino]benzoic acid
Molecular FormulaC28H26N2O5S
Molecular Weight502.6
XLogP5.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity854
SMILES
CC1=CC=C(C2=CC=CC=C12)C3=CC(=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC(=C4)N5CCOCC5
InChI
InChI=1S/C28H26N2O5S/c1-19-9-11-24(25-8-3-2-7-23(19)25)20-10-12-26(28(31)32)27(17-20)29-36(33,34)22-6-4-5-21(18-22)30-13-15-35-16-14-30/h2-12,17-18,29H,13-16H2,1H3,(H,31,32)
InChIKey
QFWAEPBEJCIANQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mcl1-IN-4
CAS: 1580484-04-3
CID: 76310973
Formula: C28H26N2O5S
MW: 502.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.6
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass502.15624311
Monoisotopic Mass502.15624311
Topological Polar Surface Area104 Ų
Heavy Atom Count36
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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