Name: Name:K-Ras G12C-IN-2
Brand: Angene
SKU: AG00ABO7
Rating: 90 (10 reviews)

K-Ras G12C-IN-2

CAS No.:

1629267-75-9

Catalog Number:

AG00ABO7

Molecular Formula:

C21H27ClN4O3

Molecular Weight:

418.9171

Catalog Number:

AG00ABO7

Chemical Name:

K-Ras G12C-IN-2

CAS Number:

1629267-75-9

Molecular Formula:

C21H27ClN4O3

Molecular Weight:

418.9171

MDL Number:

MFCD28359116

IUPAC Name:

1-[3-[4-[2-(4-chloro-5-cyclopropyl-2-hydroxyanilino)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one

InChI:

InChI=1S/C21H27ClN4O3/c1-2-20(28)26-12-15(13-26)24-5-7-25(8-6-24)21(29)11-23-18-9-16(14-3-4-14)17(22)10-19(18)27/h2,9-10,14-15,23,27H,1,3-8,11-13H2

InChI Key:

LTHUJAPYGTUVMD-UHFFFAOYSA-N

SMILES:

C=CC(=O)N1CC(C1)N1CCN(CC1)C(=O)CNc1cc(C2CC2)c(cc1O)Cl

Complexity:

629

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

418.177g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

418.922g/mol

Monoisotopic Mass:

418.177g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4