| CAS Number | 2098902-68-0 |
| Catalog Number | AG01DUA2 |
| Chemical Name | KDM4D-IN-1 |
| IUPAC Name | 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile |
| InChI | InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17) |
| InChI Key | FIRSAIIBSBCBTF-UHFFFAOYSA-N |
| MDL Number | MFCD31544339 |
| Molecular Formula | C11H7N5O |
| Molecular Weight | 225.2062 |
| SMILES | CC1=NN2C(NC(=O)C3=CC=CN=C23)=C1C#N |
| Synonyms | KDM4D-IN-1,
2098902-68-0,
CHEMBL4090908,
CS-7575,
HY-101928,
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| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.211g/mol |
| Monoisotopic Mass | 225.065g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number