General Information of the Compound
| Compound ID |
CP0487404
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| Compound Name |
N-[[(1R,2R)-2-(2-ethyl-2,3-dihydro-1,3-benzoxazol-7-yl)cyclopropyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C17H24N2O2
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| Molecular Weight |
288.391
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| Canonical SMILES |
CCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1
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| InChI |
InChI=1S/C17H24N2O2/c1-4-15-19-14-7-5-6-12(16(14)21-15)13-8-11(13)9-18-17(20)10(2)3/h5-7,10-11,13,15,19H,4,8-9H2,1-3H3,(H,18,20)/t11-,13+,15?/m0/s1
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| InChIKey |
QNICAWNWEAOMOG-OZDYYWIQSA-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