General Information of the Compound
| Compound ID |
CP0428936
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| Compound Name |
(R)-3-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)benzamide
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCn3cccc3)c2)cc1)c1cccnc1
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| InChI |
InChI=1S/C28H30N4O2/c33-27(25-7-4-14-29-20-25)21-30-15-12-22-8-10-26(11-9-22)31-28(34)24-6-3-5-23(19-24)13-18-32-16-1-2-17-32/h1-11,14,16-17,19-20,27,30,33H,12-13,15,18,21H2,(H,31,34)/t27-/m0/s1
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| InChIKey |
HMWNNRGLQQFFPN-MHZLTWQESA-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
Protein ID: PT01493, Beta-3 adrenergic receptor