General Information of the Compound
| Compound ID |
CP0381110
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| Compound Name |
2,5-diamino-N-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)phenylamino)-4-oxobutyl)pentanamide
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| Structure |
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| Formula |
C29H42N6O6
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| Molecular Weight |
570.691
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| Canonical SMILES |
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
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| InChI |
InChI=1S/C29H42N6O6/c1-29(2,33-16-23(37)20-11-12-22(36)26-27(20)41-17-25(39)35-26)15-18-7-9-19(10-8-18)34-24(38)6-4-14-32-28(40)21(31)5-3-13-30/h7-12,21,23,33,36-37H,3-6,13-17,30-31H2,1-2H3,(H,32,40)(H,34,38)(H,35,39)
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| InChIKey |
ZRGLSSFFNJDYDK-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