EGFR-IN-5

CAT: 0607-BA6394-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6394-5Size:5 mg

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CAS Number

2225887-26-1

Molecular Formula

C31H38FN9O

Molecular Weight

571.69

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Egfr-IN-5

CAS Number	2225887-26-1
PubChem CID	134817166
IUPAC Name	[1-[6-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-2-(4-fluoroanilino)pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]methanol
Molecular Formula	C31H38FN9O
Molecular Weight	571.7
XLogP	4.8
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	42
Formal Charge	0
Complexity	816

SMILES

CN(C)C1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO

InChI

InChI=1S/C31H38FN9O/c1-39(2)24-11-15-40(16-12-24)25-7-8-28(33-18-25)37-29-17-26-27(19-34-29)36-31(35-23-5-3-22(32)4-6-23)38-30(26)41-13-9-21(20-42)10-14-41/h3-8,17-19,21,24,42H,9-16,20H2,1-2H3,(H,33,34,37)(H,35,36,38)

InChIKey

DXOUQSZKEPSXBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2225887-26-1

CID: 134817166

Formula: C31H38FN9O

MW: 571.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	571.7
XLogP3	4.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	571.31833503
Monoisotopic Mass	571.31833503
Topological Polar Surface Area	106 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	816
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS3614838-01	EGFR-IN-5
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A20082-10	EGFR-IN-5 10mg
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A20082-100	EGFR-IN-5 100mg
A20082-5	EGFR-IN-5 5mg
A20082-25	EGFR-IN-5 25mg

EGFR-IN-5

Chemical Information

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