General Information of the Compound
| Compound ID |
CP0309824
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| Compound Name |
1-ethyl-3-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]thiourea
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| Structure |
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| Formula |
C17H18N2O2S
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| Molecular Weight |
314.41
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| Canonical SMILES |
CCNC(=S)NCc1cc2c(ccc3ccc(OC)cc23)o1
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| InChI |
InChI=1S/C17H18N2O2S/c1-3-18-17(22)19-10-13-9-15-14-8-12(20-2)6-4-11(14)5-7-16(15)21-13/h4-9H,3,10H2,1-2H3,(H2,18,19,22)
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| InChIKey |
PYEBYKOPHCGWNH-UHFFFAOYSA-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