General Information of the Compound
| Compound ID |
CP0452933
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| Compound Name |
(R)-2-(4,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
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| Structure |
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| Formula |
C32H31N5O2
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| Molecular Weight |
517.633
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc(c2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C32H31N5O2/c38-30(27-12-7-18-33-20-27)22-34-19-17-24-13-15-28(16-14-24)36-31(39)23-37-32(26-10-5-2-6-11-26)29(21-35-37)25-8-3-1-4-9-25/h1-16,18,20-21,30,34,38H,17,19,22-23H2,(H,36,39)/t30-/m0/s1
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| InChIKey |
CWHICZHLMPSAEJ-PMERELPUSA-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