General Information of the Compound
| Compound ID |
CP0501170
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| Compound Name |
N-[2-(2-iodo-5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C13H14IN3O4
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| Molecular Weight |
403.176
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| Canonical SMILES |
COc1cc2c(CCNC(C)=O)c(I)[nH]c2cc1[N+]([O-])=O
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| InChI |
InChI=1S/C13H14IN3O4/c1-7(18)15-4-3-8-9-5-12(21-2)11(17(19)20)6-10(9)16-13(8)14/h5-6,16H,3-4H2,1-2H3,(H,15,18)
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| InChIKey |
XDXQGYQOFIFBMS-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