General Information of the Compound
| Compound ID |
CP0568896
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| Compound Name |
1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)-3-[(2-propan-2-yl-2,3-dihydro-1-benzofuran-5-yl)methyl]urea
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| Structure |
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| Formula |
C25H33FN4O2
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| Molecular Weight |
440.563
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| Canonical SMILES |
CC(C)C1Cc2cc(CNC(=O)N(Cc3ccc(F)cn3)C3CCN(C)CC3)ccc2O1
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| InChI |
InChI=1S/C25H33FN4O2/c1-17(2)24-13-19-12-18(4-7-23(19)32-24)14-28-25(31)30(22-8-10-29(3)11-9-22)16-21-6-5-20(26)15-27-21/h4-7,12,15,17,22,24H,8-11,13-14,16H2,1-3H3,(H,28,31)
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| InChIKey |
RGJSRQYEJNNJLZ-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