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141992-47-4 | 9(10H)-Acridinethione, 1,4-dimethoxy-
CAS No: 141992-47-4 Catalog No: AG001HIP MDL No:
Product Description
Catalog Number:
AG001HIP
Chemical Name:
9(10H)-Acridinethione, 1,4-dimethoxy-
CAS Number:
141992-47-4
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
1,4-dimethoxy-10H-acridine-9-thione
InChI:
InChI=1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)
InChI Key:
KFAKESMKRPNZTM-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1[nH]c1ccccc1c2=S)OC
UNII:
X5RCK1XO4F
NSC Number:
625987
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery. | The Biochemical journal 20130415 |
| Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. | Nature biotechnology 20111101 |
| The p16 status of tumor cell lines identifies small molecule inhibitors specific for cyclin-dependent kinase 4. | Clinical cancer research : an official journal of the American Association for Cancer Research 19991201 |
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