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BMX-IN-1 5mg

CAT: 0628-A15027-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15027-5Size:5 mg
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CAS Number
1431525-23-3

Chemical Information

Bmx-IN-1

a BMX tyrosine kinase inhibitor; structure in first source

CAS Number1431525-23-3
PubChem CID71576693
IUPAC NameN-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
Molecular FormulaC29H24N4O4S
Molecular Weight524.6
XLogP4.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1030
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC=C(C=C5)NS(=O)(=O)C)NC(=O)C=C
InChI
InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
InChIKey
SFMJNHNUOVADRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bmx-IN-1
CAS: 1431525-23-3
CID: 71576693
Formula: C29H24N4O4S
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass524.15182643
Monoisotopic Mass524.15182643
Topological Polar Surface Area117 Ų
Heavy Atom Count38
Formal Charge0
Complexity1030
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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