General Information of the Compound
| Compound ID |
CP0435688
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| Compound Name |
N-[3-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-3,5,5-trimethylhexanamide
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| Structure |
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| Formula |
C29H39N3O4
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| Molecular Weight |
493.648
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| Canonical SMILES |
CC(CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)CC(C)(C)C
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| InChI |
InChI=1S/C29H39N3O4/c1-19(17-29(2,3)4)15-27(36)31-21-9-5-7-20(16-21)8-6-14-30-18-25(34)22-10-12-24(33)28-23(22)11-13-26(35)32-28/h5,7,9-13,16,19,25,30,33-34H,6,8,14-15,17-18H2,1-4H3,(H,31,36)(H,32,35)
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| InChIKey |
NXEYDPQQDCMGQL-UHFFFAOYSA-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