General Information of the Compound
| Compound ID |
CP0472136
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| Compound Name |
N-[5-(3-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C23H19FN4O3
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| Molecular Weight |
418.428
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| Canonical SMILES |
Fc1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
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| InChI |
InChI=1S/C23H19FN4O3/c24-17-5-3-4-15(12-17)16-13-25-21(26-14-16)27-22(30)28-10-8-23(9-11-28)19-7-2-1-6-18(19)20(29)31-23/h1-7,12-14H,8-11H2,(H,25,26,27,30)
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| InChIKey |
ZJGVTBCFAZUUBP-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