General Information of the Compound
| Compound ID |
CP0244579
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| Compound Name |
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
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| Synonyms |
(S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
1622848-92-3
3-Benzyl-N-[(3s)-5-Methyl-4-Oxo-2,3,4,5-Tetrahydr
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
AC-29894
ACN-041458
AKOS030528033
AS-35128
CS-6899
GSK 2982772
GSK-2982772
GSK2982772
GTPL9554
HY-101760
J3.650.802G
LYPAFUINURXJSG-AWEZNQCLSA-N
MolPort-044-830-634
SCHEMBL15956219
T5W3M0VO9B
UNII-T5W3M0VO9B
compound 5 [PMID: 28151659]
s8484
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| Structure |
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| Formula |
C20H19N5O3
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| Molecular Weight |
377.404
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| Canonical SMILES |
CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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| InChI |
InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
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| InChIKey |
LYPAFUINURXJSG-AWEZNQCLSA-N
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| CAS |
1622848-92-3
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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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1
Protein ID: PT05510, Receptor-interacting serine/threonine-protein kinase 1
Clinical Information about the Compound