General Information of the Compound
| Compound ID |
CP0437593
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| Compound Name |
N-[2-(2-iodo-5-methoxy-4-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 |
COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
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| InChI |
InChI=1S/C13H14IN3O4/c1-7(18)15-6-5-8-11-9(16-13(8)14)3-4-10(21-2)12(11)17(19)20/h3-4,16H,5-6H2,1-2H3,(H,15,18)
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| InChIKey |
SROIYDKZUFKGRY-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
Protein ID: PT02130, Ribosyldihydronicotinamide dehydrogenase [quinone]