General Information of the Compound
| Compound ID |
CP0550908
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| Compound Name |
4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-5-iodo-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C14H11F2IN2OS
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| Molecular Weight |
420.222
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| Canonical SMILES |
Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1I
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| InChI |
InChI=1S/C14H11F2IN2OS/c15-9-3-1-2-8(10(9)16)6-21-14-18-12(7-4-5-7)11(17)13(20)19-14/h1-3,7H,4-6H2,(H,18,19,20)
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| InChIKey |
QTMVXUSWYMABHD-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