General Information of the Compound
| Compound ID |
CP0885390
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| Compound Name |
N-[(E)-2-(2,7-dimethoxy-1-naphthyl)vinyl]-N'-methyl urea
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| Structure |
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| Formula |
C16H18N2O3
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| Molecular Weight |
286.331
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| Canonical SMILES |
CNC(=O)N/C=C/c1c(OC)ccc2ccc(OC)cc12
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| InChI |
InChI=1S/C16H18N2O3/c1-17-16(19)18-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)21-3/h4-10H,1-3H3,(H2,17,18,19)/b9-8+
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| InChIKey |
UKMAVXXVMKXEGG-CMDGGOBGSA-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