General Information of the Compound
| Compound ID |
CP0475208
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| Compound Name |
N-[[(3R,4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinolin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C20H24N2O
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| Molecular Weight |
308.425
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| Canonical SMILES |
CCC(=O)NC[C@@H]1CN(C)c2ccccc2[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C20H24N2O/c1-3-19(23)21-13-16-14-22(2)18-12-8-7-11-17(18)20(16)15-9-5-4-6-10-15/h4-12,16,20H,3,13-14H2,1-2H3,(H,21,23)/t16-,20-/m1/s1
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| InChIKey |
HNMWKCMRAWZGLT-OXQOHEQNSA-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B