General Information of the Compound
| Compound ID |
CP0503525
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| Compound Name |
2-(difluoromethyl)-5-(3-(1-(hydroxymethyl)cyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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| Structure |
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| Formula |
C15H16F2N2O4
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| Molecular Weight |
326.299
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| Canonical SMILES |
OCC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
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| InChI |
InChI=1S/C15H16F2N2O4/c16-11(17)12-18-13(22)10-8(6-9(21)23-14(10)19-12)2-1-3-15(7-20)4-5-15/h6,11,20H,1-5,7H2,(H,18,19,22)
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| InChIKey |
MVKWHVDVWUXMAC-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