| CAS Number | 850467-66-2 |
| Catalog Number | AG01ENHF(AGN-PC-0UWYDY) |
| Chemical Name | N-(2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl)-[1,1'-biphenyl]-4-carboxamide |
| IUPAC Name | N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide |
| InChI | InChI=1S/C25H24N2O2/c28-24(27-23-12-6-10-20-9-4-5-11-22(20)23)17-26-25(29)21-15-13-19(14-16-21)18-7-2-1-3-8-18/h1-5,7-9,11,13-16,23H,6,10,12,17H2,(H,26,29)(H,27,28) |
| InChI Key | WQKXOAJVNFOHNZ-UHFFFAOYSA-N |
| MDL Number | MFCD15612807 |
| Molecular Formula | C25H24N2O2 |
| Molecular Weight | 384.4703 |
| SMILES | O=C(CNC(C1=CC=C(C2=CC=CC=C2)C=C1)=O)NC(CCC3)C4=C3C=CC=C4 |
| Synonyms | 850467-66-2,
N-(2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl)-[1,1'-biphenyl]-4-carboxamide,
SCHEMBL5652046,
CHEMBL3717933,
Compound 43 TAO Kinase inhibitor,
CP 43,
GS-9008,
n-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]biphenyl-4-carboxamide,
|
| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.479g/mol |
| Monoisotopic Mass | 384.184g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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