General Information of the Compound
| Compound ID |
CP0463150
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| Compound Name |
7-chloro-8-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
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| Structure |
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| Formula |
C14H18ClNO
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| Molecular Weight |
251.757
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| Canonical SMILES |
COc1cc2C3C(Cc2cc1Cl)CCCN3C
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| InChI |
InChI=1S/C14H18ClNO/c1-16-5-3-4-9-6-10-7-12(15)13(17-2)8-11(10)14(9)16/h7-9,14H,3-6H2,1-2H3
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| InChIKey |
FEZSMNVWDVMGQU-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