| CAS Number | 1246030-96-5 |
| Catalog Number | AG01ENJB(AGN-PC-3H45NA) |
| Chemical Name | GSK-2250665A |
| IUPAC Name | 4-[[4-benzyl-6-[(6-ethyl-1,3-benzothiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol |
| InChI | InChI=1S/C26H29N5OS/c1-2-17-8-13-22-23(15-17)33-26(29-22)31-24-16-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-9-11-21(32)12-10-19/h3-8,13,15-16,19,21,32H,2,9-12,14H2,1H3,(H2,27,28,29,30,31) |
| InChI Key | DPRNXTSMYVCYLJ-UHFFFAOYSA-N |
| MDL Number | MFCD31544486 |
| Molecular Formula | C26H29N5OS |
| Molecular Weight | 459.6064 |
| SMILES | N(C1C=C(CC2C=CC=CC=2)N=C(N[C@@H]2CC[C@@H](O)CC2)N=1)C1=NC2=CC=C(C=C2S1)CC |
| Synonyms | GSK 2250665A,
1246030-96-5,
CHEMBL2441273,
trans-4-[[4-[(6-Ethyl-2-benzothiazolyl)amino]-6-(phenylmethyl)-2-pyrimidinyl]amino]cyclohexanol,
SCHEMBL141373,
SCHEMBL141374,
BDBM50442139,
AKOS032962848,
DPRNXTSMYVCYLJ-UHFFFAOYSA-N,
|
| Complexity | 597 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.612g/mol |
| Monoisotopic Mass | 459.209g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number