General Information of the Compound
| Compound ID |
CP0005675
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| Compound Name |
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv.
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| Synonyms |
185039-89-8
6-(2,6-Dichlorophenyl)-2-({4-[2-(Diethylamino)ethoxy]phenyl}amino)-8-Methylpyrido[2,3-D]pyrimidin-7(8h)-One
6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
AC1NSKIX
AKOS032945173
BCP20228
BDBM3096
CHEMBL49120
CS-0008610
GTPL8183
HY-13925
IFPPYSWJNWHOLQ-UHFFFAOYSA-N
Kinome_3263
MolPort-044-560-325
NCGC00242490-01
NCGC00242490-02
PD-0166285
PD0166285
PD166285
SCHEMBL133914
TCMDC-140940
ZINC1486219
s8148
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| Structure |
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| Formula |
C26H27Cl2N5O2
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| Molecular Weight |
512.441
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| Canonical SMILES |
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
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| InChI |
InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)
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| InChIKey |
IFPPYSWJNWHOLQ-UHFFFAOYSA-N
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| CAS |
185039-89-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2
Clinical Information about the Compound