General Information of the Compound
| Compound ID |
CP0397640
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| Compound Name |
N-[2-(1H-indol-3-yl)ethyl]-4-(piperidin-1-ylmethyl)aniline
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| Structure |
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| Formula |
C22H27N3
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| Molecular Weight |
333.479
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| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H27N3/c1-4-14-25(15-5-1)17-18-8-10-20(11-9-18)23-13-12-19-16-24-22-7-3-2-6-21(19)22/h2-3,6-11,16,23-24H,1,4-5,12-15,17H2
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| InChIKey |
QGORNUITEGCJIY-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