General Information of the Compound
| Compound ID |
CP0485551
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| Compound Name |
N-[[1-(4-chlorobenzoyl)-4-methoxyindol-2-yl]methyl]propanamide
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| Structure |
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| Formula |
C20H19ClN2O3
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| Molecular Weight |
370.836
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| Canonical SMILES |
CCC(=O)NCc1cc2c(OC)cccc2n1C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H19ClN2O3/c1-3-19(24)22-12-15-11-16-17(5-4-6-18(16)26-2)23(15)20(25)13-7-9-14(21)10-8-13/h4-11H,3,12H2,1-2H3,(H,22,24)
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| InChIKey |
JZRVFYJZVXNSMM-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