CO-1686 25mg

CAT: 0628-A13028-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A13028-25Size:25 mg

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CAS Number

1374640-70-6

Chemical Information

Rociletinib

Rociletinib has been used in trials studying the treatment and prevention of Nonsmall Cell Lung Cancer, Non-small Cell Lung Cancer, and Locally Advanced or Metastatic Non-small Cell Lung Cancer.

CAS Number	1374640-70-6
PubChem CID	57335384
IUPAC Name	N-[3-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Molecular Formula	C27H28F3N7O3
Molecular Weight	555.6
XLogP	4
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	40
Formal Charge	0
Complexity	871

SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC

InChI

InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)

InChIKey

HUFOZJXAKZVRNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1374640-70-6

CID: 57335384

Formula: C27H28F3N7O3

MW: 555.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	555.6
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	555.22057227
Monoisotopic Mass	555.22057227
Topological Polar Surface Area	112 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	871
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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Catalog	Name
abx183952-01	Co-1686
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C12572-01	Rociletinib (CO-1686)
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2794-25	CO-1686 (Rociletinib)
A3320-50	CO-1686 (AVL-301)
MBS575344	Rociletinib (CO-1686, AVL-301)
MBS384530-01	CO-1686 (Rociletinib, AVL-301)

CO-1686 25mg

Chemical Information

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