General Information of the Compound
| Compound ID |
CP0574828
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| Compound Name |
N-[(1-methylindol-5-yl)methyl]-3-(phenoxymethyl)azetidine-1-carboxamide
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
Cn1ccc2cc(CNC(=O)N3CC(COc4ccccc4)C3)ccc12
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| InChI |
InChI=1S/C21H23N3O2/c1-23-10-9-18-11-16(7-8-20(18)23)12-22-21(25)24-13-17(14-24)15-26-19-5-3-2-4-6-19/h2-11,17H,12-15H2,1H3,(H,22,25)
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| InChIKey |
PHNMTPLSRDVJOZ-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