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124476-84-2

124476-84-2 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 4,6-diamino-1-(4-chlorophenyl)-2,3-dihydro-2-oxo-

CAS No: 124476-84-2 Catalog No: AG000M2X MDL No:MFCD00496419

Product Description

Catalog Number:
AG000M2X
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 4,6-diamino-1-(4-chlorophenyl)-2,3-dihydro-2-oxo-
CAS Number:
124476-84-2
Molecular Formula:
C14H10ClN5O
Molecular Weight:
299.7151
MDL Number:
MFCD00496419
IUPAC Name:
4,6-diamino-1-(4-chlorophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C14H10ClN5O/c15-7-1-3-8(4-2-7)20-11(21)5-9-12(17)10(6-16)13(18)19-14(9)20/h1-4H,5H2,(H4,17,18,19)
InChI Key:
ZQQWVUWHBYAWPO-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccc(cc1)Cl

Properties

Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.057g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.718g/mol
Monoisotopic Mass:
299.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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