General Information of the Compound
| Compound ID |
CP0464022
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| Compound Name |
N-[(1S,2R)-2-(3-phenylpropyl)cyclohexyl]-4,5-dihydro-1,3-oxazol-2-amine
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| Structure |
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| Formula |
C18H26N2O
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| Molecular Weight |
286.419
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| Canonical SMILES |
C(C[C@H]1CCCC[C@@H]1NC1=NCCO1)Cc1ccccc1
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| InChI |
InChI=1S/C18H26N2O/c1-2-7-15(8-3-1)9-6-11-16-10-4-5-12-17(16)20-18-19-13-14-21-18/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,20)/t16-,17+/m1/s1
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| InChIKey |
UDQDKOIZHDPWGR-SJORKVTESA-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor