General Information of the Compound
| Compound ID |
CP0039399
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| Compound Name |
8-(2-Methoxyphenyl)-1-methyl-7-(2'-methyl-5'-hydroxyphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
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| Synonyms |
1192216-03-7
BDBM50299218
GTPL8141
KB-65160
NSC-752203
NSC752203
PMID19788238C66
ZINC45245466
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| Structure |
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| Formula |
C22H19N5O4
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| Molecular Weight |
417.425
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| Canonical SMILES |
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C
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| InChI |
InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)
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| InChIKey |
JTWMOWRMSZZHDR-UHFFFAOYSA-N
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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: PT01028, Ephrin type-B receptor 4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 309 nM
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LO
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| CL000364 | Hs 578T | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 562 nM
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LI
LO
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Clinical Information about the Compound
Drug 1 ( PMID19788238C66 )
| Drug Name | PMID19788238C66 | ||
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