General Information of the Compound
| Compound ID |
CP0076220
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| Compound Name |
N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5k
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| Structure |
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| Formula |
C13H15BrN2O2
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| Molecular Weight |
311.179
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| Canonical SMILES |
COc1ccc2c(Br)c(CCNC(C)=O)[nH]c2c1
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| InChI |
InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-11-13(14)10-4-3-9(18-2)7-12(10)16-11/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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| InChIKey |
NTQTXEFRNIHNTF-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