General Information of the Compound
| Compound ID |
CP0406482
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| Compound Name |
1-(1-ethylpiperidin-3-yl)-3-(3-fluorophenylsulfonyl)-5-methoxy-1H-indole
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| Structure |
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| Formula |
C22H25FN2O3S
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| Molecular Weight |
416.518
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| Canonical SMILES |
CCN1CCCC(C1)n1cc(c2cc(OC)ccc12)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C22H25FN2O3S/c1-3-24-11-5-7-17(14-24)25-15-22(20-13-18(28-2)9-10-21(20)25)29(26,27)19-8-4-6-16(23)12-19/h4,6,8-10,12-13,15,17H,3,5,7,11,14H2,1-2H3
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| InChIKey |
ANKIDBINXHGJGY-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