General Information of the Compound
| Compound ID |
CP0448861
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| Compound Name |
1-[2-Amino-2-(2-fluoro-phenyl)-ethyl]-3-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C25H21F3N4O4
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| Molecular Weight |
498.461
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(CC(N)c2ccccc2F)c(=O)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C25H21F3N4O4/c1-36-16-7-4-6-15(12-16)32-24(34)30(13-18-20(27)10-5-11-21(18)28)23(33)31(25(32)35)14-22(29)17-8-2-3-9-19(17)26/h2-12,22H,13-14,29H2,1H3
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| InChIKey |
KULMYCAITDPIAN-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