General Information of the Compound
| Compound ID |
CP0487926
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| Compound Name |
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-2-yl-methanone
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| Structure |
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| Formula |
C18H22FN3O2
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| Molecular Weight |
331.391
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccco2)nc1
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| InChI |
InChI=1S/C18H22FN3O2/c1-14-4-5-15(21-11-14)12-20-13-18(19)6-8-22(9-7-18)17(23)16-3-2-10-24-16/h2-5,10-11,20H,6-9,12-13H2,1H3
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| InChIKey |
DVDOVWWMYAWCLL-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