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Oncrasin 1 10mg

CAT: 0628-A15333-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A15333-10Size:10 mg
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CAS Number
75629-57-1

Chemical Information

Oncrasin 1

Oncrasin-1 is a member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations. It has a role as an antineoplastic agent and an apoptosis inducer. It is a member of indoles, an arenecarbaldehyde and a member of monochlorobenzenes.

CAS Number75629-57-1
PubChem CID872445
IUPAC Name1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
Molecular FormulaC16H12ClNO
Molecular Weight269.72
XLogP3.7
Topological Polar Surface Area22
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity314
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O
InChI
InChI=1S/C16H12ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2
InChIKey
ZDRQMXCSSAPUMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oncrasin 1
CAS: 75629-57-1
CID: 872445
Formula: C16H12ClNO
MW: 269.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.72
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass269.0607417
Monoisotopic Mass269.0607417
Topological Polar Surface Area22 Ų
Heavy Atom Count19
Formal Charge0
Complexity314
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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