General Information of the Compound
| Compound ID |
CP0421534
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| Compound Name |
2-(3-(m-tolylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanamine
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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 |
Cc1cccc(c1)S(=O)(=O)c1cn(CCN)c2cccnc12
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| InChI |
InChI=1S/C16H17N3O2S/c1-12-4-2-5-13(10-12)22(20,21)15-11-19(9-7-17)14-6-3-8-18-16(14)15/h2-6,8,10-11H,7,9,17H2,1H3
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| InChIKey |
UYAYAJOXPNRHRA-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