General Information of the Compound
| Compound ID |
CP0373735
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| Compound Name |
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(2-((R)-2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)propanamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1nc(C)cc1C
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| InChI |
InChI=1S/C23H29N5O2/c1-16-13-17(2)28(27-16)18(3)23(30)26-21-8-6-19(7-9-21)10-12-25-15-22(29)20-5-4-11-24-14-20/h4-9,11,13-14,18,22,25,29H,10,12,15H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
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| InChIKey |
YPOOSHWMFUBQBB-YSYXNDDBSA-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