General Information of the Compound
| Compound ID |
CP0373734
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-methyl-2-(1H-pyrazol-1-yl)propanamide
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| Structure |
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1
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| InChI |
InChI=1S/C22H27N5O2/c1-22(2,27-14-4-12-25-27)21(29)26-19-8-6-17(7-9-19)10-13-24-16-20(28)18-5-3-11-23-15-18/h3-9,11-12,14-15,20,24,28H,10,13,16H2,1-2H3,(H,26,29)/t20-/m0/s1
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| InChIKey |
YNMAPZJEQOESIO-FQEVSTJZSA-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