General Information of the Compound
| Compound ID |
CP0496198
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| Compound Name |
4-amino-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 |
C24H32N4O5
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| Molecular Weight |
456.543
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| Canonical SMILES |
CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
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| InChI |
InChI=1S/C24H32N4O5/c1-24(2,12-15-5-7-16(8-6-15)27-20(31)4-3-11-25)26-13-19(30)17-9-10-18(29)22-23(17)33-14-21(32)28-22/h5-10,19,26,29-30H,3-4,11-14,25H2,1-2H3,(H,27,31)(H,28,32)
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| InChIKey |
SZSJRKLPTIBKNS-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