General Information of the Compound
| Compound ID |
CP0431045
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| Compound Name |
2-[2-Methyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethylamine
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| Structure |
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| Formula |
C16H17N3O2S
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| Molecular Weight |
315.398
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| Canonical SMILES |
Cc1c(c2cccnc2n1CCN)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H17N3O2S/c1-12-15(22(20,21)13-6-3-2-4-7-13)14-8-5-10-18-16(14)19(12)11-9-17/h2-8,10H,9,11,17H2,1H3
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| InChIKey |
WQASJYLZEYFXEX-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