General Information of the Compound
| Compound ID |
CP0180207
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| Compound Name |
N-[7-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
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| Structure |
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| Formula |
C38H45N5O2S
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| Molecular Weight |
635.878
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCNc2c3CCCCc3nc3ccccc23)CC1
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| InChI |
InChI=1S/C38H45N5O2S/c44-46(45,30-14-5-4-6-15-30)43-25-22-33-36(20-13-21-37(33)43)42-28-26-41(27-29-42)24-12-3-1-2-11-23-39-38-31-16-7-9-18-34(31)40-35-19-10-8-17-32(35)38/h4-7,9,13-16,18,20-22,25H,1-3,8,10-12,17,19,23-24,26-29H2,(H,39,40)
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| InChIKey |
QVCWJIWRPGTNSS-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