General Information of the Compound
| Compound ID |
CP0452411
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| Compound Name |
4-(2-(dimethylamino)acetamido)-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)phenyl)butanamide
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| Structure |
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| Formula |
C28H39N5O6
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| Molecular Weight |
541.649
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| Canonical SMILES |
CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1
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| InChI |
InChI=1S/C28H39N5O6/c1-28(2,30-15-22(35)20-11-12-21(34)26-27(20)39-17-25(38)32-26)14-18-7-9-19(10-8-18)31-23(36)6-5-13-29-24(37)16-33(3)4/h7-12,22,30,34-35H,5-6,13-17H2,1-4H3,(H,29,37)(H,31,36)(H,32,38)
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| InChIKey |
HKBJMFYJKMLPOJ-UHFFFAOYSA-N
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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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor