General Information of the Compound
| Compound ID |
CP0353769
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| Compound Name |
(R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-2-(oxetan-3-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-5-yl)-1H-1,2,3-triazole-4-carboxamide
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| Synonyms |
(R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-2-(oxetan-3-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-5-yl)-1H-1,2,3-triazole-4-carboxamide
1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide
1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE, 1-(1,1-DIMETHYLETHYL)-N-((5R)-2,3,4,5-TETRAHYDRO-8-(2-((1-METHYL-1H-PYRAZOL-4-YL)AMINO)-4-PYRIMIDINYL)-2-(3-OXETANYL)-1H-2-BENZAZEPIN-5-YL)-
2247614-80-6
AKOS040757477
AT39830
BDBM324284
BIIB-091
BIIB091
CHEMBL5083772
CS-0311353
EX-A7962
GTPL11791
MJ0LWX26KB
MS-29987
NSC-839699
NSC839699
SCHEMBL20532949
US10189829, Compound 27
YDA
compound 51 [PMID: 34734694]
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| Structure |
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| Formula |
C28H34N10O2
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| Molecular Weight |
542.648
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| Canonical SMILES |
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
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| InChI |
InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
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| InChIKey |
JSAQBOQCZJHWMA-XMMPIXPASA-N
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| CAS |
2247614-80-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound