Cdk1 Inhibitor

CAT: 0024-sc-202529Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202529Size:5 mg

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CAS Number

220749-41-7

Chemical Information

3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one

CAS Number	220749-41-7
PubChem CID	2607
IUPAC Name	3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one
Molecular Formula	C17H11ClN2O
Molecular Weight	294.7
XLogP	4
Topological Polar Surface Area	44.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	464

SMILES

C1=CC=C2C(=C1)C(=CC3=C(NC4=CC=CC=C43)Cl)C(=O)N2

InChI

InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)

InChIKey

QJKBRWSJWQVKLY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220749-41-7

CID: 2607

Formula: C17H11ClN2O

MW: 294.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.7
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	294.0559907
Monoisotopic Mass	294.0559907
Topological Polar Surface Area	44.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	464
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes