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1227633-49-9 | Phenol, 4-[2-[[2-benzo[b]thien-3-yl-9-(1-methylethyl)-9H-purin-6-yl]amino]ethyl]-
CAS No: 1227633-49-9 Catalog No: AG000JF4 MDL No:MFCD16987861
Product Description
Catalog Number:
AG000JF4
Chemical Name:
Phenol, 4-[2-[[2-benzo[b]thien-3-yl-9-(1-methylethyl)-9H-purin-6-yl]amino]ethyl]-
CAS Number:
1227633-49-9
Molecular Formula:
C24H23N5OS
Molecular Weight:
429.5373
MDL Number:
MFCD16987861
IUPAC Name:
4-[2-[[2-(1-benzothiophen-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
InChI:
InChI=1S/C24H23N5OS/c1-15(2)29-14-26-21-23(25-12-11-16-7-9-17(30)10-8-16)27-22(28-24(21)29)19-13-31-20-6-4-3-5-18(19)20/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,27,28)
InChI Key:
BGFHMYJZJZLMHW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CCNc1nc(nc2c1ncn2C(C)C)c1csc2c1cccc2
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.162g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
429.542g/mol
Monoisotopic Mass:
429.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Comparison of Different Cytokine Conditions Reveals Resveratrol as a New Molecule for Ex Vivo Cultivation of Cord Blood-Derived Hematopoietic Stem Cells. | Stem cells translational medicine 20150901 |
| Aryl hydrocarbon receptor antagonists promote the expansion of human hematopoietic stem cells. | Science (New York, N.Y.) 20100910 |
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