General Information of the Compound
| Compound ID |
CP0389496
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| Compound Name |
tert-butyl 4-[1-(4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C25H30N2O5S
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| Molecular Weight |
470.591
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Oc1cccc2n(ccc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H30N2O5S/c1-25(2,3)32-24(28)26-15-12-19(13-16-26)31-23-7-5-6-22-21(23)14-17-27(22)18-8-10-20(11-9-18)33(4,29)30/h5-11,14,17,19H,12-13,15-16H2,1-4H3
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| InChIKey |
NECPZPFCWSYRMX-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