General Information of the Compound
| Compound ID |
CP0490404
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| Compound Name |
N-[[(1R,2R)-2-(2-propyl-2,3-dihydro-1,3-benzoxazol-7-yl)cyclopropyl]methyl]butanamide
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| Structure |
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| Formula |
C18H26N2O2
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| Molecular Weight |
302.418
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| Canonical SMILES |
CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CCC)c2O1
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| InChI |
InChI=1S/C18H26N2O2/c1-3-6-16(21)19-11-12-10-14(12)13-8-5-9-15-18(13)22-17(20-15)7-4-2/h5,8-9,12,14,17,20H,3-4,6-7,10-11H2,1-2H3,(H,19,21)/t12-,14+,17?/m0/s1
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| InChIKey |
OWXPWWAWLVIWOM-JYCRYNECSA-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