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EGFR-IN-2 25mg

CAT: 0628-A12628-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12628-25Size:25 mg
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CAS Number
1643497-70-4

Chemical Information

Egfr-IN-2
CAS Number1643497-70-4
PubChem CID121595975
IUPAC Name2-[1-[1-[(2S)-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol
Molecular FormulaC26H33N9O3S
Molecular Weight551.7
XLogP2.8
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity970
SMILES
CC[C@H](C)N1C2=CC(=NC=C2C(=N1)N3CC(C3)C(C)(C)O)NC4=NC(=NC=C4)C5=CN(N=C5)S(=O)(=O)C6CC6
InChI
InChI=1S/C26H33N9O3S/c1-5-16(2)35-21-10-23(28-12-20(21)25(32-35)33-14-18(15-33)26(3,4)36)30-22-8-9-27-24(31-22)17-11-29-34(13-17)39(37,38)19-6-7-19/h8-13,16,18-19,36H,5-7,14-15H2,1-4H3,(H,27,28,30,31)/t16-/m0/s1
InChIKey
RDWYRIOEHIKPRE-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-2
CAS: 1643497-70-4
CID: 121595975
Formula: C26H33N9O3S
MW: 551.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.7
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass551.24270712
Monoisotopic Mass551.24270712
Topological Polar Surface Area152 Ų
Heavy Atom Count39
Formal Charge0
Complexity970
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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