General Information of the Compound
| Compound ID |
CP0447424
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| Compound Name |
4-(3-aminopropanamido)-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 |
C27H37N5O6
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| Molecular Weight |
527.622
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| Canonical SMILES |
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
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| InChI |
InChI=1S/C27H37N5O6/c1-27(2,30-15-21(34)19-9-10-20(33)25-26(19)38-16-24(37)32-25)14-17-5-7-18(8-6-17)31-23(36)4-3-13-29-22(35)11-12-28/h5-10,21,30,33-34H,3-4,11-16,28H2,1-2H3,(H,29,35)(H,31,36)(H,32,37)
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| InChIKey |
BLCZHIFSBSOPKO-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