| CAS Number | 2093388-62-4 |
| Catalog Number | AG01EO5G(AGN-PC-3H467D) |
| Chemical Name | BETd-260 |
| IUPAC Name | 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide |
| InChI | InChI=1S/C43H46N10O6/c1-5-53-34(20-30(50-53)25-13-14-25)46-39-37-27-19-33(58-4)28(36-22(2)51-59-23(36)3)18-31(27)45-38(37)48-40(49-39)42(56)44-17-8-6-7-10-24-11-9-12-26-29(24)21-52(43(26)57)32-15-16-35(54)47-41(32)55/h9,11-12,18-20,25,32H,5-8,10,13-17,21H2,1-4H3,(H,44,56)(H,47,54,55)(H2,45,46,48,49) |
| InChI Key | UZXANFBIRSYHGO-UHFFFAOYSA-N |
| MDL Number | MFCD31563593 |
| Molecular Formula | C43H46N10O6 |
| Molecular Weight | 798.8887 |
| SMILES | O=C(NCCCCCC=1C=CC=C2C(=O)N(CC21)C3C(=O)NC(=O)CC3)C4=NC=5NC=6C=C(C(OC)=CC6C5C(=N4)NC7=CC(=NN7CC)C8CC8)C=9C(=NOC9C)C |
| Synonyms | BETd-260,
2093388-62-4,
HY-101519,
CS-0021622,
|
| Complexity | 1550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 798.36g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 59 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 798.905g/mol |
| Monoisotopic Mass | 798.36g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 202A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number