| CAS Number | 1231889-53-4 |
| Catalog Number | AG01EO8I(AGN-PC-3H469K) |
| Chemical Name | 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-9H-carbazole-1-carboxamide |
| IUPAC Name | 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide |
| InChI | InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36) |
| InChI Key | TVJRDCQUZMGBAB-UHFFFAOYSA-N |
| MDL Number | MFCD30470964 |
| Molecular Formula | C31H26N4O3 |
| Molecular Weight | 502.5631 |
| SMILES | O=C(C1=CC=C(C4=CC=CC(N5C=NC6=C(C=CC=C6)C5=O)=C4C)C2=C1NC3=C2C=CC(C(C)(O)C)=C3)N |
| Synonyms | 7-(2-hydroxypropan-2-yl)-4-(2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl)-9H-carbazole-1-carboxamide,
BMS-935177,
BMS-935177,
1231889-53-4,
CHEMBL3918580,
SCHEMBL12064378,
BDBM230144,
BCP25754,
BDBM50194715,
BMS935177,
AKOS030629027,
SB18868,
US9334290, Comparative Example 75,
HY-101793,
CS-0021905,
J3.544.372J,
A16905,
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| Complexity | 951 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 502.574g/mol |
| Monoisotopic Mass | 502.2g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number