General Information of the Compound
| Compound ID |
CP0439774
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| Compound Name |
1-(2-(5-benzyl-1-(4-fluorobenzyl)-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 |
C20H22FN7O2
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| Molecular Weight |
411.441
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| Canonical SMILES |
NC(N)=NCCNc1nc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C20H22FN7O2/c21-16-8-6-15(7-9-16)12-27-18(25-11-10-24-17(22)23)26-19(29)28(20(27)30)13-14-4-2-1-3-5-14/h1-9H,10-13H2,(H4,22,23,24)(H,25,26,29)
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| InChIKey |
SEXASLXTWZKYRF-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