General Information of the Compound
| Compound ID |
CP0426130
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| Compound Name |
ethyl 4-(8-methoxy-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl)-4-oxobutanoate
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| Structure |
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| Formula |
C19H25NO4
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| Molecular Weight |
331.412
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| Canonical SMILES |
CCOC(=O)CCC(=O)N1CCCC2Cc3ccc(OC)cc3C12
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| InChI |
InChI=1S/C19H25NO4/c1-3-24-18(22)9-8-17(21)20-10-4-5-14-11-13-6-7-15(23-2)12-16(13)19(14)20/h6-7,12,14,19H,3-5,8-11H2,1-2H3
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| InChIKey |
LZIRRRVTYSMSIN-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