General Information of the Compound
| Compound ID |
CP0716783
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| Compound Name |
3-(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylamino}-2-nitro-vinylamino)-benzamide
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| Structure |
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| Formula |
C24H26N6O4
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| Molecular Weight |
462.51
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| Canonical SMILES |
NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1
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| InChI |
InChI=1S/C24H26N6O4/c25-24(32)18-3-1-5-21(13-18)29-23(16-30(33)34)28-20-8-6-17(7-9-20)10-12-27-15-22(31)19-4-2-11-26-14-19/h1-9,11,13-14,16,22,27-29,31H,10,12,15H2,(H2,25,32)/b23-16+/t22-/m0/s1
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| InChIKey |
VLIKKEJJMRACNH-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