General Information of the Compound
| Compound ID |
CP0439771
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| Compound Name |
1-(2-(5-(4-fluorobenzyl)-1-(4-nitrobenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
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| Structure |
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| Formula |
C20H21FN8O4
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| Molecular Weight |
456.438
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| Canonical SMILES |
NC(N)=NCCNc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H21FN8O4/c21-15-5-1-13(2-6-15)12-28-19(30)26-18(25-10-9-24-17(22)23)27(20(28)31)11-14-3-7-16(8-4-14)29(32)33/h1-8H,9-12H2,(H4,22,23,24)(H,25,26,30)
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| InChIKey |
SWSGLVRGFZXJIT-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