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CB 5083

CAT: 0926-BC177445-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-BC177445-01Size:2 mg
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CAS Number
1542705-92-9
Smiles
CC1=CC2=C (C=CC=C2N1C3=NC4=C (COCC4) C (=N3) NCC5=CC=CC=C5) C (=O) N
Controlled
No

Chemical Information

Cb-5083

CB-5083 is an organic molecular entity. It has a role as an inhibitor.

CAS Number1542705-92-9
PubChem CID73051434
IUPAC Name1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
Molecular FormulaC24H23N5O2
Molecular Weight413.5
XLogP3.1
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity627
SMILES
CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
InChIKey
RDALZZCKQFLGJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cb-5083
CAS: 1542705-92-9
CID: 73051434
Formula: C24H23N5O2
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass413.18517499
Monoisotopic Mass413.18517499
Topological Polar Surface Area95.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity627
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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Alternative Products

CatalogName
B6032-100CB-5083
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