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RIPK1-IN-4 25mg

CAT: 0628-A21029-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A21029-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1481641-08-0

Chemical Information

1-[4-(1-Aminoisoquinolin-5-Yl)phenyl]-3-(5-Tert-Butyl-1,2-Oxazol-3-Yl)urea
CAS Number1481641-08-0
PubChem CID71816195
IUPAC Name1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
Molecular FormulaC23H23N5O2
Molecular Weight401.5
XLogP4.4
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity587
SMILES
CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CC=CC4=C3C=CN=C4N
InChI
InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)
InChIKey
SLRYMOUSQMDJPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(1-Aminoisoquinolin-5-Yl)phenyl]-3-(5-Tert-Butyl-1,2-Oxazol-3-Yl)urea
CAS: 1481641-08-0
CID: 71816195
Formula: C23H23N5O2
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass401.18517499
Monoisotopic Mass401.18517499
Topological Polar Surface Area106 Ų
Heavy Atom Count30
Formal Charge0
Complexity587
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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