General Information of the Compound
| Compound ID |
CP0065701
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| Compound Name |
N-[8-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine
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| Structure |
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| Formula |
C39H47N5O2S
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| Molecular Weight |
649.905
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCCNc2c3CCCCc3nc3ccccc23)CC1
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| InChI |
InChI=1S/C39H47N5O2S/c45-47(46,31-15-6-5-7-16-31)44-26-23-34-37(21-14-22-38(34)44)43-29-27-42(28-30-43)25-13-4-2-1-3-12-24-40-39-32-17-8-10-19-35(32)41-36-20-11-9-18-33(36)39/h5-8,10,14-17,19,21-23,26H,1-4,9,11-13,18,20,24-25,27-30H2,(H,40,41)
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| InChIKey |
FZNAHZCVWVQRSJ-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