General Information of the Compound
| Compound ID |
CP0405428
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| Compound Name |
N-[[(1R,2R)-2-(2-propan-2-yl-2,3-dihydro-1,3-benzoxazol-7-yl)cyclopropyl]methyl]acetamide
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| Structure |
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| Formula |
C16H22N2O2
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| Molecular Weight |
274.364
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| Canonical SMILES |
CC(C)C1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1
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| InChI |
InChI=1S/C16H22N2O2/c1-9(2)16-18-14-6-4-5-12(15(14)20-16)13-7-11(13)8-17-10(3)19/h4-6,9,11,13,16,18H,7-8H2,1-3H3,(H,17,19)/t11-,13+,16?/m0/s1
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| InChIKey |
KYVDHDJATMBERL-OBNKUBODSA-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