General Information of the Compound
| Compound ID |
CP0552124
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| Compound Name |
N-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
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| Structure |
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| Formula |
C27H34N4
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| Molecular Weight |
414.597
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| Canonical SMILES |
Cc1ccc2nc3CCCCc3c(NCCN3CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C27H34N4/c1-21-11-12-26-24(19-21)27(23-9-5-6-10-25(23)29-26)28-13-14-30-15-17-31(18-16-30)20-22-7-3-2-4-8-22/h2-4,7-8,11-12,19H,5-6,9-10,13-18,20H2,1H3,(H,28,29)
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| InChIKey |
RWHDNJUCQNGPQG-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