General Information of the Compound
| Compound ID |
CP0862655
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| Compound Name |
(R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol
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| Structure |
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| Formula |
C29H29N5O4
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| Molecular Weight |
511.582
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| Canonical SMILES |
O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C29H29N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31-33,35H,15,17,20H2/b29-21+/t28-/m0/s1
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| InChIKey |
OGWSIWIZDTYFFO-QZPVIKGESA-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