General Information of the Compound
| Compound ID |
CP0489448
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| Compound Name |
tert-butyl 4-[4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)amino]-4-oxobutyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H32N2O5S
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| Molecular Weight |
436.574
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCC(=O)Nc2ccc3c(CCS3(=O)=O)c2)CC1
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| InChI |
InChI=1S/C22H32N2O5S/c1-22(2,3)29-21(26)24-12-9-16(10-13-24)5-4-6-20(25)23-18-7-8-19-17(15-18)11-14-30(19,27)28/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,23,25)
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| InChIKey |
LQIXWOTXLOMZTN-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