General Information of the Compound
| Compound ID |
CP0176032
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| Compound Name |
N-methyl-N-[[1-methyl-5-(3-piperidin-1-ylpropoxy)indol-2-yl]methyl]prop-2-yn-1-amine
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| Structure |
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| Formula |
C22H31N3O
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| Molecular Weight |
353.51
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| Canonical SMILES |
CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
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| InChI |
InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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| InChIKey |
NQDGCGNKNJWZHP-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