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1457983-28-6 | Pyrido[4,3-d]pyrimidin-5(6H)-one, 8-bromo-2-[(1-methyl-4-piperidinyl)amino]-4-[(4-phenoxyphenyl)amino]-
CAS No: 1457983-28-6 Catalog No: AG001DEW MDL No:MFCD28167815
Product Description
Catalog Number:
AG001DEW
Chemical Name:
Pyrido[4,3-d]pyrimidin-5(6H)-one, 8-bromo-2-[(1-methyl-4-piperidinyl)amino]-4-[(4-phenoxyphenyl)amino]-
CAS Number:
1457983-28-6
Molecular Formula:
C25H25BrN6O2
Molecular Weight:
521.4090
MDL Number:
MFCD28167815
IUPAC Name:
8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
InChI:
InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)
InChI Key:
SXWMIXPJPNCXQQ-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O
UNII:
B06W426B66
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.122g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
521.419g/mol
Monoisotopic Mass:
520.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| G-749, a novel FLT3 kinase inhibitor, can overcome drug resistance for the treatment of acute myeloid leukemia. | Blood 20140403 |
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