General Information of the Compound
| Compound ID |
CP0409427
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| Compound Name |
N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C13H15N3O4
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| Molecular Weight |
277.28
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| Canonical SMILES |
COc1cc2c(CCNC(C)=O)c[nH]c2cc1[N+]([O-])=O
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| InChI |
InChI=1S/C13H15N3O4/c1-8(17)14-4-3-9-7-15-11-6-12(16(18)19)13(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,17)
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| InChIKey |
BCLGLBCJLIBAHF-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