General Information of the Compound
| Compound ID |
CP0852668
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| Compound Name |
8-(5-fluorochroman-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one oxalate
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| Structure |
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| Formula |
C24H26FN3O6
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| Molecular Weight |
471.485
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| Canonical SMILES |
O=C(O)C(=O)O.O=C1NCN(c2ccccc2)C12CCN(C1CCOc3cccc(F)c31)CC2
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| InChI |
InChI=1S/C22H24FN3O2.C2H2O4/c23-17-7-4-8-19-20(17)18(9-14-28-19)25-12-10-22(11-13-25)21(27)24-15-26(22)16-5-2-1-3-6-16;3-1(4)2(5)6/h1-8,18H,9-15H2,(H,24,27);(H,3,4)(H,5,6)
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| InChIKey |
PHWNUFNGYVOJOZ-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