General Information of the Compound
| Compound ID |
CP0140965
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| Compound Name |
N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)Cn3cccnc3=O)cc2)N1)c1ccccc1
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| InChI |
InChI=1S/C24H26N4O3/c29-22(16-28-14-4-13-25-24(28)31)27-19-9-7-17(8-10-19)15-20-11-12-21(26-20)23(30)18-5-2-1-3-6-18/h1-10,13-14,20-21,23,26,30H,11-12,15-16H2,(H,27,29)/t20-,21+,23+/m0/s1
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| InChIKey |
NLXXAPYWQLPUAG-QZNHQXDQSA-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: PT01493, Beta-3 adrenergic receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter