| CAS Number | 220749-41-7 |
| Catalog Number | AG00BHM4(AGN-PC-0JK6AW) |
| Chemical Name | Cdk1 inhibitor |
| IUPAC Name | 3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one |
| InChI | InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21) |
| InChI Key | QJKBRWSJWQVKLY-UHFFFAOYSA-N |
| MDL Number | MFCD24369037 |
| Molecular Formula | C17H11ClN2O |
| Molecular Weight | 294.7350 |
| SMILES | ClC=1NC2=CC=CC=C2C1C=C1C(NC2=CC=CC=C12)=O |
| Synonyms | 220749-41-7,
AC1L1E22,
CTK7H5951,
IN1397,
AKOS028110668,
NCI60_041122,
3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one,
2H-Indol-2-one, 3-[(2-chloro-1H-indol-3-yl)methylene]-1,3-dihydro-,
3-[(2-chloro-1h-indol-3-yl)methylidene]-1,3-dihydro-2h-indol-2-one,
cdk1 inhibitor,
CID2607,
QJKBRWSJWQVKLY-UHFFFAOYSA-N,
K00028,
2H-Indol-2-one,3-[(2-chloro-1H-indol-3-yl)methylene]-1,3-dihydro-,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.738g/mol |
| Monoisotopic Mass | 294.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number