General Information of the Compound
| Compound ID |
CP0777882
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| Compound Name |
(R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol
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| Structure |
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| Formula |
C23H24IN5O3
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| Molecular Weight |
545.381
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| Canonical SMILES |
O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1
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| InChI |
InChI=1S/C23H24IN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26-28,30H,10,12,15H2/b23-16+/t22-/m0/s1
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| InChIKey |
ZVYKQWOSRCTQLC-MWLMUJSGSA-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