General Information of the Compound
| Compound ID |
CP0510518
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| Compound Name |
tert-butyl 4-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H34N2O5S
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| Molecular Weight |
450.601
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCC(=O)N2CCc3cc(ccc23)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C23H34N2O5S/c1-23(2,3)30-22(27)24-13-10-17(11-14-24)6-5-7-21(26)25-15-12-18-16-19(31(4,28)29)8-9-20(18)25/h8-9,16-17H,5-7,10-15H2,1-4H3
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| InChIKey |
FZKCUJSOEZZNTM-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