General Information of the Compound
| Compound ID |
CP0405594
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| Compound Name |
2-methyl-N-[[(1R,2R)-2-(2-propyl-2,3-dihydro-1,3-benzoxazol-7-yl)cyclopropyl]methyl]propanamide
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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)C(C)C)c2O1
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| InChI |
InChI=1S/C18H26N2O2/c1-4-6-16-20-15-8-5-7-13(17(15)22-16)14-9-12(14)10-19-18(21)11(2)3/h5,7-8,11-12,14,16,20H,4,6,9-10H2,1-3H3,(H,19,21)/t12-,14+,16?/m0/s1
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| InChIKey |
HDALWMJUCWFWTK-XNVGXSDDSA-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