General Information of the Compound
| Compound ID |
CP0506107
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| Compound Name |
2-(difluoromethyl)-5-(2-(spiro[2.3]hexan-5-yl)ethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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| Structure |
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| Formula |
C16H16F2N2O3
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| Molecular Weight |
322.311
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| Canonical SMILES |
FC(F)c1nc2oc(=O)cc(CCC3CC4(CC4)C3)c2c(=O)[nH]1
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| InChI |
InChI=1S/C16H16F2N2O3/c17-12(18)13-19-14(22)11-9(5-10(21)23-15(11)20-13)2-1-8-6-16(7-8)3-4-16/h5,8,12H,1-4,6-7H2,(H,19,20,22)
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| InChIKey |
LWNHIERVOCUTNJ-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