General Information of the Compound
| Compound ID |
CP0405082
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| Compound Name |
1-ethyl-3-[(8-methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-yl)methyl]thiourea
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| Structure |
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| Formula |
C18H22N2OS
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| Molecular Weight |
314.454
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| Canonical SMILES |
CCNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12
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| InChI |
InChI=1S/C18H22N2OS/c1-3-19-18(22)20-11-14-7-6-13-5-4-12-8-9-15(21-2)10-16(12)17(13)14/h4-5,8-10,14H,3,6-7,11H2,1-2H3,(H2,19,20,22)
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| InChIKey |
MLTPCDWECFSPOI-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B