General Information of the Compound
| Compound ID |
CP0404082
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| Compound Name |
4-(diethylaminomethyl)-N-[2-(1H-indol-3-yl)ethyl]aniline
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| Structure |
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| Formula |
C21H27N3
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| Molecular Weight |
321.468
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| Canonical SMILES |
CCN(CC)Cc1ccc(NCCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C21H27N3/c1-3-24(4-2)16-17-9-11-19(12-10-17)22-14-13-18-15-23-21-8-6-5-7-20(18)21/h5-12,15,22-23H,3-4,13-14,16H2,1-2H3
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| InChIKey |
LYLJFZMDWSAZSK-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