General Information of the Compound
| Compound ID |
CP0430672
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| Compound Name |
4-guanidino-N-(4-(2-(2-hydroxy-2-(6-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 |
C25H34N6O5
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| Molecular Weight |
498.584
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| Canonical SMILES |
CC(C)(Cc1ccc(NC(=O)CCCN=C(N)N)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C25H34N6O5/c1-25(2,12-15-5-7-16(8-6-15)30-21(34)4-3-9-28-24(26)27)29-13-20(33)18-10-17(32)11-19-23(18)36-14-22(35)31-19/h5-8,10-11,20,29,32-33H,3-4,9,12-14H2,1-2H3,(H,30,34)(H,31,35)(H4,26,27,28)
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| InChIKey |
QHULJWORIMDFMN-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