General Information of the Compound
| Compound ID |
CP0527142
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| Compound Name |
N-ethyl-N-[[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methyl]ethanamine
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| Structure |
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| Formula |
C25H32N2
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| Molecular Weight |
360.545
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| Canonical SMILES |
CCN(CC)Cc1cn(CC=C(C)C)c2ccc(cc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C25H32N2/c1-6-26(7-2)17-23-18-27(14-13-19(3)4)25-12-11-22(16-24(23)25)21-10-8-9-20(5)15-21/h8-13,15-16,18H,6-7,14,17H2,1-5H3
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| InChIKey |
KQAJIRCVJGRVCT-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