General Information of the Compound
| Compound ID |
CP0427370
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| Compound Name |
1-(1-ethylpiperidin-3-yl)-3-(phenylsulfonyl)-1Hpyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C20H23N3O2S
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| Molecular Weight |
369.49
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| Canonical SMILES |
CCN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H23N3O2S/c1-2-22-13-7-8-16(14-22)23-15-19(18-11-6-12-21-20(18)23)26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3
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| InChIKey |
ZTPFZEHJSYONHE-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