General Information of the Compound
| Compound ID |
CP0397516
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| Compound Name |
N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)Nc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C21H25N3O/c1-2-4-21-20(3-1)18(15-23-21)9-10-22-19-7-5-17(6-8-19)16-24-11-13-25-14-12-24/h1-8,15,22-23H,9-14,16H2
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| InChIKey |
UCTRCZYTETZMOI-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