General Information of the Compound
| Compound ID |
CP0578854
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| Compound Name |
4-[5-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]furan-2-yl]phenol
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| Structure |
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncccc23)o1
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| InChI |
InChI=1S/C20H19N3O2/c24-16-5-3-14(4-6-16)19-8-7-17(25-19)13-21-11-9-15-12-23-20-18(15)2-1-10-22-20/h1-8,10,12,21,24H,9,11,13H2,(H,22,23)
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| InChIKey |
OMHLMHNFBQYVII-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