General Information of the Compound
| Compound ID |
CP0525613
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| Compound Name |
propan-2-yl 4-[3-(5-methylsulfonyl-2,3-dihydroindol-1-yl)phenoxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H30N2O5S
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| Molecular Weight |
458.58
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1cccc(c1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C24H30N2O5S/c1-17(2)30-24(27)25-12-10-20(11-13-25)31-21-6-4-5-19(16-21)26-14-9-18-15-22(32(3,28)29)7-8-23(18)26/h4-8,15-17,20H,9-14H2,1-3H3
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| InChIKey |
VDTYDSXZHPYFFC-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