General Information of the Compound
| Compound ID |
CP0404705
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| Compound Name |
1-(2-Amino-4-methyl-pentyl)-3-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C23H25F3N4O4
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| Molecular Weight |
478.471
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| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(CC(N)CC(C)C)c(=O)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C23H25F3N4O4/c1-13(2)10-14(27)11-28-21(31)29(12-15-16(24)6-4-7-17(15)25)23(33)30(22(28)32)18-8-5-9-19(34-3)20(18)26/h4-9,13-14H,10-12,27H2,1-3H3
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| InChIKey |
WWLQZJAWSMSPKG-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