General Information of the Compound
| Compound ID |
CP0271606
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| Compound Name |
3-(phenylsulfonyl)sulfonyl]-1-piperidin-3-yl-1Hpyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C18H19N3O2S
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| Molecular Weight |
341.436
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| Canonical SMILES |
O=S(=O)(c1cn(C2CCCNC2)c2ncccc12)c1ccccc1
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| InChI |
InChI=1S/C18H19N3O2S/c22-24(23,15-7-2-1-3-8-15)17-13-21(14-6-4-10-19-12-14)18-16(17)9-5-11-20-18/h1-3,5,7-9,11,13-14,19H,4,6,10,12H2
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| InChIKey |
UEJRENXOUHNGKE-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