General Information of the Compound
| Compound ID |
CP0458501
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| Compound Name |
8-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluorophenoxy]-6-fluoroindolizine-2-carbonitrile
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| Structure |
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| Formula |
C21H14F2N4O4
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| Molecular Weight |
424.363
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| Canonical SMILES |
Fc1ccc(Oc2cc(F)cn3cc(cc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1
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| InChI |
InChI=1S/C21H14F2N4O4/c22-14-1-2-17(19(8-14)30-6-5-26-4-3-20(28)25-21(26)29)31-18-9-15(23)12-27-11-13(10-24)7-16(18)27/h1-4,7-9,11-12H,5-6H2,(H,25,28,29)
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| InChIKey |
ZZRRYEXYIVBDNM-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