General Information of the Compound
| Compound ID |
CP0137981
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| Compound Name |
N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
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| Structure |
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| Formula |
C33H35N5O2S
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| Molecular Weight |
565.743
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1
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| InChI |
InChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35)
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| InChIKey |
HFXNFOSTKCPMIS-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