| CAS Number | 1808288-51-8 |
| Catalog Number | AG01DU9X |
| Chemical Name | CHMFL-BMX-078 |
| IUPAC Name | 4-(methylamino)-2-[4-methyl-3-(prop-2-enoylamino)anilino]-N-[2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]phenyl]pyrimidine-5-carboxamide |
| InChI | InChI=1S/C33H35N7O6/c1-8-28(41)38-24-16-22(12-10-18(24)2)37-33-35-17-23(30(34-4)40-33)32(43)39-25-15-21(11-9-19(25)3)36-31(42)20-13-26(44-5)29(46-7)27(14-20)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40) |
| InChI Key | XURALSVDCFXBAX-UHFFFAOYSA-N |
| MDL Number | MFCD31382136 |
| Molecular Formula | C33H35N7O6 |
| Molecular Weight | 625.6743 |
| SMILES | CNC1=NC(NC2=CC=C(C)C(NC(=O)C=C)=C2)=NC=C1C(=O)NC1=CC(NC(=O)C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1C |
| Synonyms | 2-((3-acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide,
CHMFL-BMX-078,
CHMFL-BMX-078,
1808288-51-8,
CHMFL-BMX 078,
CHEMBL4066104,
SCHEMBL18164409,
ZINC669678978,
CS-6533,
HY-101267,
CHMFL-BMX-078,1808288-51-8,CHMFL-BMX 078,CHMFL-BMX078,1808288-51-8,
|
| Complexity | 1020 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 625.265g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 625.686g/mol |
| Monoisotopic Mass | 625.265g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
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